Task GeometryOptimization
System
    Atoms
        Mo -5.6522 8.423400000000001 -6.1823 region=output,empty_cube_opt adf.R=1.992
        Mo -7.1955 8.989699999999999 -3.785 region=output,empty_cube_opt adf.R=1.992
        Mo -7.7878 6.1826 -1.8877 region=output,empty_cube_opt adf.R=1.992
        Mo -7.1834 9.0517 -0.006 region=output,empty_cube_opt adf.R=1.992
        S -4.9659 8.25 -3.9506 region=output,empty_cube_opt adf.R=2.16
        S -8.057 8.8009 -6.0154 region=output,empty_cube_opt adf.R=2.16
        O -5.3355 10.0819 -6.6007 region=output,empty_cube_opt adf.R=1.72
        O -7.7242 6.7641 -3.7406 region=output,empty_cube_opt adf.R=1.72
        O -6.4187 6.4081 -6.419 region=output,empty_cube_opt adf.R=1.72
        O -7.0061 10.7018 -3.6133 region=output,empty_cube_opt adf.R=1.72
        O -7.0808 8.3508 1.7944 region=output,empty_cube_opt adf.R=1.72
        O -9.3248 9.164999999999999 -3.2629 region=output,empty_cube_opt adf.R=1.72
        O -8.7773 4.7433 -1.8429 region=output,empty_cube_opt adf.R=1.72
        O -6.1362 5.5685 -1.7197 region=output,empty_cube_opt adf.R=1.72
        O -7.9732 6.8644 -0.0044 region=output,empty_cube_opt adf.R=1.72
        O -9.819900000000001 7.3271 -2.0062 region=output,empty_cube_opt adf.R=1.72
        O -5.9543 10.3053 -0.0077 region=output,empty_cube_opt adf.R=1.72
        O -8.6831 9.956200000000001 -0.0052 region=output,empty_cube_opt adf.R=1.72
        O -4.9383 7.4377 -0.007 region=output,empty_cube_opt adf.R=1.72
        C -10.1068 8.427199999999999 -2.5587 region=output,empty_cube_opt adf.R=2.00
        C -11.514 8.9648 -2.3612 region=output,empty_cube_opt adf.R=2.00
        H -12.2351 8.1393 -2.3289 region=output,empty_cube_opt adf.R=1.30
        H -11.7838 9.678100000000001 -3.1479 region=output,empty_cube_opt adf.R=1.30
        H -11.5462 9.4819 -1.3911 region=output,empty_cube_opt adf.R=1.30
        Mo -6.1789 5.6413 -8.4336 region=output,empty_cube_opt adf.R=1.992
        Mo -3.7756 7.178 -8.993499999999999 region=output,empty_cube_opt adf.R=1.992
        Mo -1.8839 7.7746 -6.184 region=output,empty_cube_opt adf.R=1.992
        Mo 0.0019 7.1688 -9.0496 region=output,empty_cube_opt adf.R=1.992
        S -3.9491 4.9495 -8.2517 region=output,empty_cube_opt adf.R=2.16
        S -6.0048 8.0448 -8.811500000000001 region=output,empty_cube_opt adf.R=2.16
        O -6.5934 5.3245 -10.093 region=output,empty_cube_opt adf.R=1.72
        O -3.7358 7.7089 -6.7695 region=output,empty_cube_opt adf.R=1.72
        O -3.599 6.9852 -10.7048 region=output,empty_cube_opt adf.R=1.72
        O 1.8019 7.0706 -8.347 region=output,empty_cube_opt adf.R=1.72
        O -3.2509 9.3065 -9.1723 region=output,empty_cube_opt adf.R=1.72
        O -1.8437 8.7654 -4.7453 region=output,empty_cube_opt adf.R=1.72
        O -1.7155 6.1236 -5.5679 region=output,empty_cube_opt adf.R=1.72
        O 0.0 7.9607 -6.8622 region=output,empty_cube_opt adf.R=1.72
        O -1.9996 9.8043 -7.3316 region=output,empty_cube_opt adf.R=1.72
        O 0.0042 5.94 -10.3036 region=output,empty_cube_opt adf.R=1.72
        O 0.0002 8.668799999999999 -9.9535 region=output,empty_cube_opt adf.R=1.72
        O 0.0028 4.9274 -7.4343 region=output,empty_cube_opt adf.R=1.72
        C -2.5468 10.0888 -8.434900000000001 region=output,empty_cube_opt adf.R=2.00
        C -2.346 11.4945 -8.975199999999999 region=output,empty_cube_opt adf.R=2.00
        H -2.3083 12.217 -8.151199999999999 region=output,empty_cube_opt adf.R=1.30
        H -3.1339 11.7659 -9.6866 region=output,empty_cube_opt adf.R=1.30
        H -1.3775 11.5216 -9.4956 region=output,empty_cube_opt adf.R=1.30
        Mo -8.435600000000001 6.1725 -5.6563 region=output,empty_cube_opt adf.R=1.992
        Mo -9.0002 3.7721 -7.1964 region=output,empty_cube_opt adf.R=1.992
        Mo -6.1922 1.8742 -7.7821 region=output,empty_cube_opt adf.R=1.992
        Mo -9.0627 -0.0078 -7.181 region=output,empty_cube_opt adf.R=1.992
        S -8.263400000000001 3.9419 -4.9658 region=output,empty_cube_opt adf.R=2.16
        S -8.8081 6.0011 -8.0616 region=output,empty_cube_opt adf.R=2.16
        O -10.0946 6.5915 -5.3434 region=output,empty_cube_opt adf.R=1.72
        O -6.7733 3.7264 -7.7204 region=output,empty_cube_opt adf.R=1.72
        O -10.7125 3.602 -7.0082 region=output,empty_cube_opt adf.R=1.72
        O -8.362 -1.808 -7.0768 region=output,empty_cube_opt adf.R=1.72
        O -9.1731 3.2457 -9.3241 region=output,empty_cube_opt adf.R=1.72
        O -4.7516 1.8279 -8.769600000000001 region=output,empty_cube_opt adf.R=1.72
        O -5.5805 1.7057 -6.1295 region=output,empty_cube_opt adf.R=1.72
        O -6.8755 -0.008699999999999999 -7.9679 region=output,empty_cube_opt adf.R=1.72
        O -7.3344 1.9889 -9.8156 region=output,empty_cube_opt adf.R=1.72
        O -10.3183 -0.0056 -5.9539 region=output,empty_cube_opt adf.R=1.72
        O -9.964499999999999 -0.008500000000000001 -8.6823 region=output,empty_cube_opt adf.R=1.72
        O -7.45 -0.0076 -4.933 region=output,empty_cube_opt adf.R=1.72
        C -8.4359 2.5378 -10.1034 region=output,empty_cube_opt adf.R=2.00
        C -8.973800000000001 2.3358 -11.5098 region=output,empty_cube_opt adf.R=2.00
        H -8.148300000000001 2.2909 -12.2301 region=output,empty_cube_opt adf.R=1.30
        H -9.68 3.127 -11.7855 region=output,empty_cube_opt adf.R=1.30
        H -9.4999 1.3703 -11.5349 region=output,empty_cube_opt adf.R=1.30
        Mo -5.6504 8.433299999999999 6.172 region=output,empty_cube_opt adf.R=1.992
        Mo -7.1922 8.995100000000001 3.7718 region=output,empty_cube_opt adf.R=1.992
        Mo -7.7857 6.1844 1.8794 region=output,empty_cube_opt adf.R=1.992
        S -4.9621 8.257 3.9407 region=output,empty_cube_opt adf.R=2.16
        S -8.055300000000001 8.8079 6.0018 region=output,empty_cube_opt adf.R=2.16
        O -5.3357 10.0928 6.5881 region=output,empty_cube_opt adf.R=1.72
        O -7.7196 6.7681 3.7312 region=output,empty_cube_opt adf.R=1.72
        O -6.4143 6.4183 6.4119 region=output,empty_cube_opt adf.R=1.72
        O -7.0035 10.707 3.5988 region=output,empty_cube_opt adf.R=1.72
        O -7.0842 8.348699999999999 -1.8059 region=output,empty_cube_opt adf.R=1.72
        O -9.3216 9.1692 3.2493 region=output,empty_cube_opt adf.R=1.72
        O -8.774100000000001 4.7443 1.8371 region=output,empty_cube_opt adf.R=1.72
        O -6.1338 5.571 1.7094 region=output,empty_cube_opt adf.R=1.72
        O -9.817 7.3287 1.9966 region=output,empty_cube_opt adf.R=1.72
        C -10.1031 8.430899999999999 2.5452 region=output,empty_cube_opt adf.R=2.00
        C -11.5095 8.9693 2.3444 region=output,empty_cube_opt adf.R=2.00
        H -12.2314 8.144399999999999 2.3125 region=output,empty_cube_opt adf.R=1.30
        H -11.78 9.6844 3.1292 region=output,empty_cube_opt adf.R=1.30
        H -11.5393 9.484400000000001 1.3732 region=output,empty_cube_opt adf.R=1.30
        Mo -6.1762 5.6548 8.428900000000001 region=output,empty_cube_opt adf.R=1.992
        Mo -3.777 7.1977 8.9902 region=output,empty_cube_opt adf.R=1.992
        Mo -1.8807 7.7854 6.1807 region=output,empty_cube_opt adf.R=1.992
        Mo 0.0009 7.1833 9.0509 region=output,empty_cube_opt adf.R=1.992
        S -3.9451 4.967 8.2531 region=output,empty_cube_opt adf.R=2.16
        S -6.0068 8.0602 8.8012 region=output,empty_cube_opt adf.R=2.16
        O -6.5922 5.3412 10.0884 region=output,empty_cube_opt adf.R=1.72
        O -3.7332 7.7222 6.7623 region=output,empty_cube_opt adf.R=1.72
        O -3.604 7.0095 10.7022 region=output,empty_cube_opt adf.R=1.72
        O 1.801 7.0777 8.3504 region=output,empty_cube_opt adf.R=1.72
        O -3.2524 9.326000000000001 9.162100000000001 region=output,empty_cube_opt adf.R=1.72
        O -1.835 8.772600000000001 4.7398 region=output,empty_cube_opt adf.R=1.72
        O -1.7125 6.1329 5.5687 region=output,empty_cube_opt adf.R=1.72
        O 0.0028 7.97 6.8633 region=output,empty_cube_opt adf.R=1.72
        O -1.9965 9.818099999999999 7.3229 region=output,empty_cube_opt adf.R=1.72
        O -0.0016 5.9555 10.3059 region=output,empty_cube_opt adf.R=1.72
        O 0.0022 8.6843 9.953200000000001 region=output,empty_cube_opt adf.R=1.72
        O 0.0003 4.9348 7.4366 region=output,empty_cube_opt adf.R=1.72
        C -2.5464 10.106 8.423999999999999 region=output,empty_cube_opt adf.R=2.00
        C -2.3504 11.5145 8.958500000000001 region=output,empty_cube_opt adf.R=2.00
        H -2.3079 12.233 8.1313 region=output,empty_cube_opt adf.R=1.30
        H -3.1432 11.7887 9.663399999999999 region=output,empty_cube_opt adf.R=1.30
        H -1.3855 11.5449 9.485200000000001 region=output,empty_cube_opt adf.R=1.30
        Mo 6.183 5.6515 -8.426500000000001 region=output,empty_cube_opt adf.R=1.992
        Mo 3.7804 7.1883 -8.989000000000001 region=output,empty_cube_opt adf.R=1.992
        Mo 1.8837 7.7769 -6.1808 region=output,empty_cube_opt adf.R=1.992
        S 3.9534 4.9593 -8.2493 region=output,empty_cube_opt adf.R=2.16
        S 6.0087 8.055899999999999 -8.801399999999999 region=output,empty_cube_opt adf.R=2.16
        O 6.6001 5.3364 -10.0855 region=output,empty_cube_opt adf.R=1.72
        O 3.7361 7.7156 -6.7628 region=output,empty_cube_opt adf.R=1.72
        O 6.4199 6.4171 -6.4103 region=output,empty_cube_opt adf.R=1.72
        O 3.6072 6.9974 -10.7008 region=output,empty_cube_opt adf.R=1.72
        O -1.7984 7.0654 -8.3485 region=output,empty_cube_opt adf.R=1.72
        O 3.253 9.315799999999999 -9.164300000000001 region=output,empty_cube_opt adf.R=1.72
        O 1.839 8.7653 -4.7408 region=output,empty_cube_opt adf.R=1.72
        O 1.7166 6.1246 -5.5676 region=output,empty_cube_opt adf.R=1.72
        O 1.9968 9.8085 -7.3255 region=output,empty_cube_opt adf.R=1.72
        C 2.5459 10.0957 -8.427199999999999 region=output,empty_cube_opt adf.R=2.00
        C 2.3429 11.5015 -8.9663 region=output,empty_cube_opt adf.R=2.00
        H 2.3016 12.2229 -8.141500000000001 region=output,empty_cube_opt adf.R=1.30
        H 3.1318 11.7756 -9.6755 region=output,empty_cube_opt adf.R=1.30
        H 1.3755 11.527 -9.488899999999999 region=output,empty_cube_opt adf.R=1.30
        Mo -8.438499999999999 -6.1868 -5.6472 region=output,empty_cube_opt adf.R=1.992
        Mo -9.0029 -3.7875 -7.1895 region=output,empty_cube_opt adf.R=1.992
        Mo -6.1948 -1.8909 -7.7816 region=output,empty_cube_opt adf.R=1.992
        S -8.264900000000001 -3.9555 -4.9591 region=output,empty_cube_opt adf.R=2.16
        S -8.813599999999999 -6.0177 -8.052099999999999 region=output,empty_cube_opt adf.R=2.16
        O -10.0972 -6.6052 -5.3321 region=output,empty_cube_opt adf.R=1.72
        O -6.7794 -3.7432 -7.7156 region=output,empty_cube_opt adf.R=1.72
        O -6.4222 -6.4229 -6.4116 region=output,empty_cube_opt adf.R=1.72
        O -10.715 -3.6144 -7.0005 region=output,empty_cube_opt adf.R=1.72
        O -8.360300000000001 1.7926 -7.0799 region=output,empty_cube_opt adf.R=1.72
        O -9.1783 -3.2646 -9.3186 region=output,empty_cube_opt adf.R=1.72
        O -4.7554 -1.8485 -8.771000000000001 region=output,empty_cube_opt adf.R=1.72
        O -5.5807 -1.7229 -6.1299 region=output,empty_cube_opt adf.R=1.72
        O -7.339 -2.0098 -9.8133 region=output,empty_cube_opt adf.R=1.72
        C -8.440300000000001 -2.5601 -10.1001 region=output,empty_cube_opt adf.R=2.00
        C -8.978300000000001 -2.3609 -11.5068 region=output,empty_cube_opt adf.R=2.00
        H -8.152799999999999 -2.3189 -12.2274 region=output,empty_cube_opt adf.R=1.30
        H -9.6853 -3.152 -11.7803 region=output,empty_cube_opt adf.R=1.30
        H -9.503299999999999 -1.3949 -11.5347 region=output,empty_cube_opt adf.R=1.30
        Mo -8.431100000000001 6.1795 5.6481 region=output,empty_cube_opt adf.R=1.992
        Mo -8.992900000000001 3.781 7.1915 region=output,empty_cube_opt adf.R=1.992
        Mo -6.1832 1.8868 7.7817 region=output,empty_cube_opt adf.R=1.992
        Mo -9.051500000000001 0.0028 7.1803 region=output,empty_cube_opt adf.R=1.992
        S -8.255699999999999 3.9481 4.9609 region=output,empty_cube_opt adf.R=2.16
        S -8.805400000000001 6.0115 8.0534 region=output,empty_cube_opt adf.R=2.16
        O -10.0905 6.5954 5.3333 region=output,empty_cube_opt adf.R=1.72
        O -6.7667 3.7392 7.7176 region=output,empty_cube_opt adf.R=1.72
        O -10.7051 3.6082 7.0037 region=output,empty_cube_opt adf.R=1.72
        O -8.3498 -1.7973 7.0787 region=output,empty_cube_opt adf.R=1.72
        O -9.166 3.2581 9.3207 region=output,empty_cube_opt adf.R=1.72
        O -4.7427 1.8435 8.769500000000001 region=output,empty_cube_opt adf.R=1.72
        O -5.5705 1.7192 6.1293 region=output,empty_cube_opt adf.R=1.72
        O -6.8636 0.0033 7.9669 region=output,empty_cube_opt adf.R=1.72
        O -7.326 2.004 9.8142 region=output,empty_cube_opt adf.R=1.72
        O -10.3059 0.0028 5.952 region=output,empty_cube_opt adf.R=1.72
        O -9.9549 0.0025 8.6807 region=output,empty_cube_opt adf.R=1.72
        O -7.439 0.0031 4.9348 region=output,empty_cube_opt adf.R=1.72
        C -8.4274 2.5536 10.1015 region=output,empty_cube_opt adf.R=2.00
        C -8.9643 2.3547 11.5088 region=output,empty_cube_opt adf.R=2.00
        H -8.138299999999999 2.3142 12.2289 region=output,empty_cube_opt adf.R=1.30
        H -9.6721 3.1451 11.7822 region=output,empty_cube_opt adf.R=1.30
        H -9.488099999999999 1.3881 11.5377 region=output,empty_cube_opt adf.R=1.30
        Mo 6.1782 5.6472 8.4366 region=output,empty_cube_opt adf.R=1.992
        Mo 3.778 7.1896 8.9961 region=output,empty_cube_opt adf.R=1.992
        Mo 1.8868 7.7836 6.1845 region=output,empty_cube_opt adf.R=1.992
        S 3.9472 4.9594 8.2575 region=output,empty_cube_opt adf.R=2.16
        S 6.0083 8.0518 8.8118 region=output,empty_cube_opt adf.R=2.16
        O 6.593 5.3321 10.0962 region=output,empty_cube_opt adf.R=1.72
        O 3.7385 7.7174 6.7701 region=output,empty_cube_opt adf.R=1.72
        O 6.4189 6.4122 6.4212 region=output,empty_cube_opt adf.R=1.72
        O 3.6018 6.9996 10.7076 region=output,empty_cube_opt adf.R=1.72
        O -1.7987 7.0825 8.347899999999999 region=output,empty_cube_opt adf.R=1.72
        O 3.2551 9.3185 9.1706 region=output,empty_cube_opt adf.R=1.72
        O 1.8452 8.772399999999999 4.7446 region=output,empty_cube_opt adf.R=1.72
        O 1.7183 6.1318 5.5705 region=output,empty_cube_opt adf.R=1.72
        O 2.0036 9.814399999999999 7.3295 region=output,empty_cube_opt adf.R=1.72
        C 2.5514 10.1003 8.4322 region=output,empty_cube_opt adf.R=2.00
        C 2.3512 11.5066 8.970700000000001 region=output,empty_cube_opt adf.R=2.00
        H 2.3094 12.2277 8.1457 region=output,empty_cube_opt adf.R=1.30
        H 3.1417 11.7801 9.6785 region=output,empty_cube_opt adf.R=1.30
        H 1.3849 11.5335 9.494999999999999 region=output,empty_cube_opt adf.R=1.30
        Mo 8.4361 6.1735 5.6585 region=output,empty_cube_opt adf.R=1.992
        Mo 8.996499999999999 3.7736 7.2014 region=output,empty_cube_opt adf.R=1.992
        Mo 6.1869 1.8787 7.7871 region=output,empty_cube_opt adf.R=1.992
        Mo 9.055300000000001 -0.006 7.1857 region=output,empty_cube_opt adf.R=1.992
        S 8.2615 3.9422 4.97 region=output,empty_cube_opt adf.R=2.16
        S 8.8078 6.0036 8.0639 region=output,empty_cube_opt adf.R=2.16
        O 10.0958 6.5896 5.3454 region=output,empty_cube_opt adf.R=1.72
        O 6.7695 3.731 7.7253 region=output,empty_cube_opt adf.R=1.72
        O 10.7088 3.6012 7.0154 region=output,empty_cube_opt adf.R=1.72
        O 8.3535 -1.8054 7.08 region=output,empty_cube_opt adf.R=1.72
        O 9.167199999999999 3.2497 9.330500000000001 region=output,empty_cube_opt adf.R=1.72
        O 4.7457 1.8338 8.773899999999999 region=output,empty_cube_opt adf.R=1.72
        O 5.5755 1.7119 6.1342 region=output,empty_cube_opt adf.R=1.72
        O 6.8674 -0.0056 7.9716 region=output,empty_cube_opt adf.R=1.72
        O 7.3275 1.994 9.821400000000001 region=output,empty_cube_opt adf.R=1.72
        O 10.3102 -0.0032 5.9578 region=output,empty_cube_opt adf.R=1.72
        O 9.9581 -0.009299999999999999 8.686400000000001 region=output,empty_cube_opt adf.R=1.72
        O 7.4438 -0.0028 4.9398 region=output,empty_cube_opt adf.R=1.72
        C 8.428000000000001 2.5445 10.1103 region=output,empty_cube_opt adf.R=2.00
        C 8.963800000000001 2.3449 11.5178 region=output,empty_cube_opt adf.R=2.00
        H 8.1371 2.3024 12.237 region=output,empty_cube_opt adf.R=1.30
        H 9.6701 3.1361 11.7927 region=output,empty_cube_opt adf.R=1.30
        H 9.489100000000001 1.3791 11.5466 region=output,empty_cube_opt adf.R=1.30
        Mo -8.430099999999999 -6.1761 5.6546 region=output,empty_cube_opt adf.R=1.992
        Mo -8.992699999999999 -3.7753 7.1946 region=output,empty_cube_opt adf.R=1.992
        Mo -6.1823 -1.8801 7.7818 region=output,empty_cube_opt adf.R=1.992
        S -8.2554 -3.9454 4.9643 region=output,empty_cube_opt adf.R=2.16
        S -8.8035 -6.0044 8.0601 region=output,empty_cube_opt adf.R=2.16
        O -10.0897 -6.5927 5.3412 region=output,empty_cube_opt adf.R=1.72
        O -6.765 -3.7321 7.7197 region=output,empty_cube_opt adf.R=1.72
        O -6.4139 -6.4137 6.4187 region=output,empty_cube_opt adf.R=1.72
        O -10.7048 -3.6034 7.0061 region=output,empty_cube_opt adf.R=1.72
        O -8.350099999999999 1.8031 7.0792 region=output,empty_cube_opt adf.R=1.72
        O -9.165100000000001 -3.2491 9.3226 region=output,empty_cube_opt adf.R=1.72
        O -4.7413 -1.8351 8.768800000000001 region=output,empty_cube_opt adf.R=1.72
        O -5.5707 -1.7125 6.1289 region=output,empty_cube_opt adf.R=1.72
        O -7.325 -1.9945 9.8147 region=output,empty_cube_opt adf.R=1.72
        C -8.427 -2.5428 10.1023 region=output,empty_cube_opt adf.R=2.00
        C -8.9651 -2.3402 11.5085 region=output,empty_cube_opt adf.R=2.00
        H -8.139799999999999 -2.2967 12.2292 region=output,empty_cube_opt adf.R=1.30
        H -9.6724 -3.1304 11.7837 region=output,empty_cube_opt adf.R=1.30
        H -9.4899 -1.374 11.5338 region=output,empty_cube_opt adf.R=1.30
        Mo -5.6548 -8.436400000000001 -6.1722 region=output,empty_cube_opt adf.R=1.992
        Mo -7.1961 -9.002800000000001 -3.7729 region=output,empty_cube_opt adf.R=1.992
        Mo -7.7866 -6.1929 -1.8797 region=output,empty_cube_opt adf.R=1.992
        Mo -7.1845 -9.0589 0.0071 region=output,empty_cube_opt adf.R=1.992
        S -4.9672 -8.2623 -3.9408 region=output,empty_cube_opt adf.R=2.16
        S -8.059100000000001 -8.8155 -6.0032 region=output,empty_cube_opt adf.R=2.16
        O -5.3359 -10.0945 -6.5905 region=output,empty_cube_opt adf.R=1.72
        O -7.7252 -6.7769 -3.7314 region=output,empty_cube_opt adf.R=1.72
        O -7.0058 -10.7148 -3.6009 region=output,empty_cube_opt adf.R=1.72
        O -7.0801 -8.355 1.8061 region=output,empty_cube_opt adf.R=1.72
        O -9.3248 -9.1778 -3.2491 region=output,empty_cube_opt adf.R=1.72
        O -8.7765 -4.7539 -1.8355 region=output,empty_cube_opt adf.R=1.72
        O -6.1349 -5.5783 -1.7136 region=output,empty_cube_opt adf.R=1.72
        O -7.971 -6.8724 0.0047 region=output,empty_cube_opt adf.R=1.72
        O -9.8194 -7.3386 -1.994 region=output,empty_cube_opt adf.R=1.72
        O -5.9555 -10.3127 0.0067 region=output,empty_cube_opt adf.R=1.72
        O -8.6844 -9.962899999999999 0.0101 region=output,empty_cube_opt adf.R=1.72
        O -4.9356 -7.4445 0.0024 region=output,empty_cube_opt adf.R=1.72
        C -10.1059 -8.440099999999999 -2.5438 region=output,empty_cube_opt adf.R=2.00
        C -11.5124 -8.9785 -2.3438 region=output,empty_cube_opt adf.R=2.00
        H -12.2338 -8.153499999999999 -2.3072 region=output,empty_cube_opt adf.R=1.30
        H -11.7842 -9.6899 -3.1315 region=output,empty_cube_opt adf.R=1.30
        H -11.5414 -9.4983 -1.3749 region=output,empty_cube_opt adf.R=1.30
        Mo 5.6522 8.4306 -6.1721 region=output,empty_cube_opt adf.R=1.992
        Mo 7.1928 8.995200000000001 -3.7719 region=output,empty_cube_opt adf.R=1.992
        Mo 7.7889 6.1871 -1.8776 region=output,empty_cube_opt adf.R=1.992
        Mo 7.1853 9.0534 0.0071 region=output,empty_cube_opt adf.R=1.992
        S 4.9636 8.254300000000001 -3.9408 region=output,empty_cube_opt adf.R=2.16
        S 8.056100000000001 8.809699999999999 -6.0018 region=output,empty_cube_opt adf.R=2.16
        O 5.3348 10.0893 -6.5893 region=output,empty_cube_opt adf.R=1.72
        O 7.7235 6.7712 -3.7297 region=output,empty_cube_opt adf.R=1.72
        O 7.0018 10.707 -3.598 region=output,empty_cube_opt adf.R=1.72
        O 7.0858 8.3506 1.8071 region=output,empty_cube_opt adf.R=1.72
        O 9.3223 9.173 -3.2497 region=output,empty_cube_opt adf.R=1.72
        O 8.7796 4.7485 -1.8356 region=output,empty_cube_opt adf.R=1.72
        O 6.1378 5.5714 -1.7092 region=output,empty_cube_opt adf.R=1.72
        O 7.9756 6.8665 0.0061 region=output,empty_cube_opt adf.R=1.72
        O 9.819800000000001 7.3337 -1.9959 region=output,empty_cube_opt adf.R=1.72
        O 5.956 10.3068 0.008800000000000001 region=output,empty_cube_opt adf.R=1.72
        O 8.684900000000001 9.958 0.0066 region=output,empty_cube_opt adf.R=1.72
        O 4.9413 7.4394 0.0068 region=output,empty_cube_opt adf.R=1.72
        C 10.105 8.4354 -2.5461 region=output,empty_cube_opt adf.R=2.00
        C 11.512 8.973599999999999 -2.3491 region=output,empty_cube_opt adf.R=2.00
        H 12.2338 8.1487 -2.3195 region=output,empty_cube_opt adf.R=1.30
        H 11.7804 9.6889 -3.1344 region=output,empty_cube_opt adf.R=1.30
        H 11.5447 9.4884 -1.3778 region=output,empty_cube_opt adf.R=1.30
        Mo -6.1846 -5.6569 -8.427300000000001 region=output,empty_cube_opt adf.R=1.992
        Mo -3.7797 -7.1906 -8.986499999999999 region=output,empty_cube_opt adf.R=1.992
        Mo -1.8877 -7.7792 -6.1726 region=output,empty_cube_opt adf.R=1.992
        Mo -0.0046 -7.168 -9.0406 region=output,empty_cube_opt adf.R=1.992
        S -3.9564 -4.9624 -8.2461 region=output,empty_cube_opt adf.R=2.16
        S -6.007 -8.061299999999999 -8.802300000000001 region=output,empty_cube_opt adf.R=2.16
        O -6.6001 -5.3433 -10.0872 region=output,empty_cube_opt adf.R=1.72
        O -3.7387 -7.7188 -6.7598 region=output,empty_cube_opt adf.R=1.72
        O -3.6021 -6.9983 -10.6977 region=output,empty_cube_opt adf.R=1.72
        O 1.7951 -7.0663 -8.336600000000001 region=output,empty_cube_opt adf.R=1.72
        O -3.248 -9.3165 -9.160600000000001 region=output,empty_cube_opt adf.R=1.72
        O -1.847 -8.766999999999999 -4.7321 region=output,empty_cube_opt adf.R=1.72
        O -1.7228 -6.1265 -5.5596 region=output,empty_cube_opt adf.R=1.72
        O -0.0036 -7.9605 -6.8502 region=output,empty_cube_opt adf.R=1.72
        O -1.9956 -9.808299999999999 -7.3192 region=output,empty_cube_opt adf.R=1.72
        O -0.0017 -5.9426 -10.2979 region=output,empty_cube_opt adf.R=1.72
        O -0.003 -8.670400000000001 -9.9407 region=output,empty_cube_opt adf.R=1.72
        H -0.7603 -5.1999 6.8656 region=output,empty_cube_opt adf.R=1.30
        C -2.5415 -10.0958 -8.4224 region=output,empty_cube_opt adf.R=2.00
        C -2.3349 -11.5008 -8.9619 region=output,empty_cube_opt adf.R=2.00
        H -2.2927 -12.2226 -8.137499999999999 region=output,empty_cube_opt adf.R=1.30
        H -3.1224 -11.7763 -9.6721 region=output,empty_cube_opt adf.R=1.30
        H -1.367 -11.5236 -9.483599999999999 region=output,empty_cube_opt adf.R=1.30
        Mo 8.4345 -6.1829 5.6525 region=output,empty_cube_opt adf.R=1.992
        Mo 8.996600000000001 -3.7833 7.1943 region=output,empty_cube_opt adf.R=1.992
        Mo 6.1862 -1.8884 7.785 region=output,empty_cube_opt adf.R=1.992
        S 8.2593 -3.9518 4.964 region=output,empty_cube_opt adf.R=2.16
        S 8.808400000000001 -6.0129 8.0578 region=output,empty_cube_opt adf.R=2.16
        O 10.0941 -6.5993 5.3387 region=output,empty_cube_opt adf.R=1.72
        O 6.7697 -3.7408 7.7201 region=output,empty_cube_opt adf.R=1.72
        O 6.4186 -6.4209 6.4163 region=output,empty_cube_opt adf.R=1.72
        O 10.7086 -3.6103 7.0057 region=output,empty_cube_opt adf.R=1.72
        O 8.3544 1.7952 7.0878 region=output,empty_cube_opt adf.R=1.72
        O 9.17 -3.259 9.322900000000001 region=output,empty_cube_opt adf.R=1.72
        O 4.7452 -1.8449 8.7721 region=output,empty_cube_opt adf.R=1.72
        O 5.5745 -1.7197 6.1324 region=output,empty_cube_opt adf.R=1.72
        O 7.3296 -2.0057 9.816700000000001 region=output,empty_cube_opt adf.R=1.72
        C 8.431900000000001 -2.5537 10.1035 region=output,empty_cube_opt adf.R=2.00
        C 8.9704 -2.3517 11.5096 region=output,empty_cube_opt adf.R=2.00
        H 8.1454 -2.3106 12.2308 region=output,empty_cube_opt adf.R=1.30
        H 9.679500000000001 -3.1408 11.7837 region=output,empty_cube_opt adf.R=1.30
        H 9.4931 -1.3844 11.5355 region=output,empty_cube_opt adf.R=1.30
        Mo 8.4361 6.1814 -5.6455 region=output,empty_cube_opt adf.R=1.992
        Mo 9.0015 3.7816 -7.1854 region=output,empty_cube_opt adf.R=1.992
        Mo 6.1928 1.8855 -7.776 region=output,empty_cube_opt adf.R=1.992
        Mo 9.061400000000001 0.0025 -7.1768 region=output,empty_cube_opt adf.R=1.992
        S 8.2622 3.9508 -4.9558 region=output,empty_cube_opt adf.R=2.16
        S 8.8118 6.0109 -8.0503 region=output,empty_cube_opt adf.R=2.16
        O 10.0948 6.6002 -5.3307 region=output,empty_cube_opt adf.R=1.72
        O 6.776 3.7375 -7.7123 region=output,empty_cube_opt adf.R=1.72
        O 10.7134 3.6095 -6.9946 region=output,empty_cube_opt adf.R=1.72
        O 8.3605 -1.7985 -7.0768 region=output,empty_cube_opt adf.R=1.72
        O 9.1775 3.2562 -9.3132 region=output,empty_cube_opt adf.R=1.72
        O 4.7531 1.8411 -8.764799999999999 region=output,empty_cube_opt adf.R=1.72
        O 5.5796 1.7171 -6.124 region=output,empty_cube_opt adf.R=1.72
        O 6.875 0.0031 -7.9623 region=output,empty_cube_opt adf.R=1.72
        O 7.3379 2.0019 -9.8079 region=output,empty_cube_opt adf.R=1.72
        O 10.3171 0.0001 -5.9496 region=output,empty_cube_opt adf.R=1.72
        O 9.9633 0.0051 -8.678100000000001 region=output,empty_cube_opt adf.R=1.72
        O 7.4487 0.0009 -4.9277 region=output,empty_cube_opt adf.R=1.72
        C 8.4404 2.5499 -10.094 region=output,empty_cube_opt adf.R=2.00
        C 8.98 2.3482 -11.4997 region=output,empty_cube_opt adf.R=2.00
        H 8.1555 2.3035 -12.2212 region=output,empty_cube_opt adf.R=1.30
        H 9.686500000000001 3.1395 -11.7743 region=output,empty_cube_opt adf.R=1.30
        H 9.5063 1.3828 -11.5244 region=output,empty_cube_opt adf.R=1.30
        Mo 5.6558 8.428699999999999 6.1831 region=output,empty_cube_opt adf.R=1.992
        Mo 7.1992 8.992599999999999 3.785 region=output,empty_cube_opt adf.R=1.992
        Mo 7.7895 6.1837 1.8892 region=output,empty_cube_opt adf.R=1.992
        S 4.9688 8.255699999999999 3.9515 region=output,empty_cube_opt adf.R=2.16
        S 8.061400000000001 8.801299999999999 6.015 region=output,empty_cube_opt adf.R=2.16
        O 5.3422 10.0879 6.601 region=output,empty_cube_opt adf.R=1.72
        O 7.7253 6.7647 3.7418 region=output,empty_cube_opt adf.R=1.72
        O 7.012 10.7049 3.6146 region=output,empty_cube_opt adf.R=1.72
        O 7.0834 8.352499999999999 -1.7934 region=output,empty_cube_opt adf.R=1.72
        O 9.3284 9.165800000000001 3.2619 region=output,empty_cube_opt adf.R=1.72
        O 8.7773 4.7432 1.844 region=output,empty_cube_opt adf.R=1.72
        O 6.1372 5.5712 1.7198 region=output,empty_cube_opt adf.R=1.72
        O 9.821899999999999 7.3268 2.0062 region=output,empty_cube_opt adf.R=1.72
        C 10.1091 8.428000000000001 2.5563 region=output,empty_cube_opt adf.R=2.00
        C 11.5165 8.964499999999999 2.3579 region=output,empty_cube_opt adf.R=2.00
        H 12.2369 8.138500000000001 2.3231 region=output,empty_cube_opt adf.R=1.30
        H 11.7881 9.6762 3.1455 region=output,empty_cube_opt adf.R=1.30
        H 11.5475 9.4833 1.3887 region=output,empty_cube_opt adf.R=1.30
        Mo -5.6498 -8.430300000000001 6.1825 region=output,empty_cube_opt adf.R=1.992
        Mo -7.1926 -8.995900000000001 3.7847 region=output,empty_cube_opt adf.R=1.992
        Mo -7.7835 -6.1874 1.8864 region=output,empty_cube_opt adf.R=1.992
        S -4.9622 -8.2585 3.9508 region=output,empty_cube_opt adf.R=2.16
        S -8.055099999999999 -8.803699999999999 6.0142 region=output,empty_cube_opt adf.R=2.16
        O -5.3358 -10.0892 6.6014 region=output,empty_cube_opt adf.R=1.72
        O -7.7181 -6.7679 3.7395 region=output,empty_cube_opt adf.R=1.72
        O -7.0047 -10.7082 3.6148 region=output,empty_cube_opt adf.R=1.72
        O -7.0848 -8.3597 -1.7946 region=output,empty_cube_opt adf.R=1.72
        O -9.321899999999999 -9.1694 3.2624 region=output,empty_cube_opt adf.R=1.72
        O -8.771599999999999 -4.7473 1.8409 region=output,empty_cube_opt adf.R=1.72
        O -6.1314 -5.5748 1.716 region=output,empty_cube_opt adf.R=1.72
        O -9.8164 -7.3306 2.0067 region=output,empty_cube_opt adf.R=1.72
        C -10.1032 -8.431699999999999 2.5573 region=output,empty_cube_opt adf.R=2.00
        C -11.5102 -8.9693 2.3586 region=output,empty_cube_opt adf.R=2.00
        H -12.231 -8.143800000000001 2.3218 region=output,empty_cube_opt adf.R=1.30
        H -11.7819 -9.6799 3.1472 region=output,empty_cube_opt adf.R=1.30
        H -11.54 -9.489800000000001 1.3903 region=output,empty_cube_opt adf.R=1.30
        Mo 6.1762 -5.6457 -8.428000000000001 region=output,empty_cube_opt adf.R=1.992
        Mo 3.7711 -7.1809 -8.9855 region=output,empty_cube_opt adf.R=1.992
        Mo 1.8808 -7.7736 -6.1737 region=output,empty_cube_opt adf.R=1.992
        S 3.9472 -4.9526 -8.243399999999999 region=output,empty_cube_opt adf.R=2.16
        S 5.9997 -8.0487 -8.8055 region=output,empty_cube_opt adf.R=2.16
        O 6.5898 -5.329 -10.0876 region=output,empty_cube_opt adf.R=1.72
        O 3.7323 -7.7103 -6.7598 region=output,empty_cube_opt adf.R=1.72
        O 6.4164 -6.4127 -6.4126 region=output,empty_cube_opt adf.R=1.72
        O 3.5911 -6.9873 -10.6962 region=output,empty_cube_opt adf.R=1.72
        O -1.8034 -7.0663 -8.3391 region=output,empty_cube_opt adf.R=1.72
        O 3.2463 -9.308999999999999 -9.1614 region=output,empty_cube_opt adf.R=1.72
        O 1.8423 -8.764799999999999 -4.7353 region=output,empty_cube_opt adf.R=1.72
        O 1.7122 -6.1225 -5.5576 region=output,empty_cube_opt adf.R=1.72
        O 1.9956 -9.805999999999999 -7.32 region=output,empty_cube_opt adf.R=1.72
        C 2.5438 -10.0915 -8.422499999999999 region=output,empty_cube_opt adf.R=2.00
        C 2.346 -11.4986 -8.9602 region=output,empty_cube_opt adf.R=2.00
        H 2.319 -12.2204 -8.1351 region=output,empty_cube_opt adf.R=1.30
        H 3.1296 -11.7667 -9.6775 region=output,empty_cube_opt adf.R=1.30
        H 1.3733 -11.5318 -9.472300000000001 region=output,empty_cube_opt adf.R=1.30
        Mo -6.1751 -5.6477 8.433999999999999 region=output,empty_cube_opt adf.R=1.992
        Mo -3.7749 -7.1885 8.996600000000001 region=output,empty_cube_opt adf.R=1.992
        Mo -1.8816 -7.7833 6.1861 region=output,empty_cube_opt adf.R=1.992
        Mo 0.0022 -7.1822 9.0542 region=output,empty_cube_opt adf.R=1.992
        S -3.944 -4.9592 8.256500000000001 region=output,empty_cube_opt adf.R=2.16
        S -6.0048 -8.052 8.810499999999999 region=output,empty_cube_opt adf.R=2.16
        O -6.5912 -5.3313 10.0931 region=output,empty_cube_opt adf.R=1.72
        O -3.7336 -7.7173 6.7703 region=output,empty_cube_opt adf.R=1.72
        O -3.6006 -6.9974 10.7082 region=output,empty_cube_opt adf.R=1.72
        O 1.8025 -7.0827 8.3523 region=output,empty_cube_opt adf.R=1.72
        O -3.2518 -9.317399999999999 9.1722 region=output,empty_cube_opt adf.R=1.72
        O -1.8385 -8.7727 4.7467 region=output,empty_cube_opt adf.R=1.72
        O -1.7126 -6.1317 5.5717 region=output,empty_cube_opt adf.R=1.72
        O 0.0017 -7.9693 6.8669 region=output,empty_cube_opt adf.R=1.72
        O -1.9989 -9.8141 7.3322 region=output,empty_cube_opt adf.R=1.72
        O 0.0043 -5.9535 10.3083 region=output,empty_cube_opt adf.R=1.72
        O -0.0001 -8.682499999999999 9.957700000000001 region=output,empty_cube_opt adf.R=1.72
        O 0.0045 -4.9348 7.4388 region=output,empty_cube_opt adf.R=1.72
        C -2.5475 -10.0994 8.434699999999999 region=output,empty_cube_opt adf.R=2.00
        C -2.3447 -11.5044 8.976000000000001 region=output,empty_cube_opt adf.R=2.00
        H -2.3014 -12.2269 8.1523 region=output,empty_cube_opt adf.R=1.30
        H -3.1348 -11.778 9.684100000000001 region=output,empty_cube_opt adf.R=1.30
        H -1.3784 -11.5285 9.5006 region=output,empty_cube_opt adf.R=1.30
        Mo 8.4344 -6.1781 -5.6509 region=output,empty_cube_opt adf.R=1.992
        Mo 8.999499999999999 -3.7787 -7.1922 region=output,empty_cube_opt adf.R=1.992
        Mo 6.1918 -1.8795 -7.7773 region=output,empty_cube_opt adf.R=1.992
        S 8.2636 -3.9471 -4.961 region=output,empty_cube_opt adf.R=2.16
        S 8.805400000000001 -6.0077 -8.0564 region=output,empty_cube_opt adf.R=2.16
        O 10.0933 -6.5978 -5.3388 region=output,empty_cube_opt adf.R=1.72
        O 6.7727 -3.7319 -7.7147 region=output,empty_cube_opt adf.R=1.72
        O 10.712 -3.6093 -7.005 region=output,empty_cube_opt adf.R=1.72
        O 8.360099999999999 1.8027 -7.0703 region=output,empty_cube_opt adf.R=1.72
        O 9.1714 -3.2536 -9.3203 region=output,empty_cube_opt adf.R=1.72
        O 4.7512 -1.8331 -8.764799999999999 region=output,empty_cube_opt adf.R=1.72
        O 5.5798 -1.7115 -6.1247 region=output,empty_cube_opt adf.R=1.72
        O 7.3332 -1.9957 -9.811 region=output,empty_cube_opt adf.R=1.72
        C 8.433999999999999 -2.5457 -10.0995 region=output,empty_cube_opt adf.R=2.00
        C 8.9719 -2.3436 -11.5058 region=output,empty_cube_opt adf.R=2.00
        H 8.1463 -2.296 -12.2259 region=output,empty_cube_opt adf.R=1.30
        H 9.6759 -3.1364 -11.7824 region=output,empty_cube_opt adf.R=1.30
        H 9.5006 -1.3796 -11.5305 region=output,empty_cube_opt adf.R=1.30
        Mo 5.6545 -8.4368 6.1777 region=output,empty_cube_opt adf.R=1.992
        Mo 7.1968 -8.9999 3.7779 region=output,empty_cube_opt adf.R=1.992
        Mo 7.7877 -6.1897 1.8841 region=output,empty_cube_opt adf.R=1.992
        Mo 7.1864 -9.0572 -0.0013 region=output,empty_cube_opt adf.R=1.992
        S 4.9664 -8.262600000000001 3.9461 region=output,empty_cube_opt adf.R=2.16
        S 8.059200000000001 -8.8108 6.0079 region=output,empty_cube_opt adf.R=2.16
        O 5.3395 -10.0958 6.5952 region=output,empty_cube_opt adf.R=1.72
        O 7.7232 -6.7727 3.7361 region=output,empty_cube_opt adf.R=1.72
        O 7.0091 -10.712 3.6059 region=output,empty_cube_opt adf.R=1.72
        O 7.083 -8.3544 -1.8006 region=output,empty_cube_opt adf.R=1.72
        O 9.326599999999999 -9.1729 3.2558 region=output,empty_cube_opt adf.R=1.72
        O 8.776300000000001 -4.7498 1.8402 region=output,empty_cube_opt adf.R=1.72
        O 6.1358 -5.5763 1.7155 region=output,empty_cube_opt adf.R=1.72
        O 7.974 -6.8704 0.0001 region=output,empty_cube_opt adf.R=1.72
        O 9.820600000000001 -7.333 2.0015 region=output,empty_cube_opt adf.R=1.72
        O 5.9577 -10.3113 -0.0007 region=output,empty_cube_opt adf.R=1.72
        O 8.686500000000001 -9.961 -0.003 region=output,empty_cube_opt adf.R=1.72
        O 4.9392 -7.4436 0.0005999999999999999 region=output,empty_cube_opt adf.R=1.72
        C 10.1077 -8.4343 2.5516 region=output,empty_cube_opt adf.R=2.00
        C 11.5169 -8.968 2.358 region=output,empty_cube_opt adf.R=2.00
        H 12.236 -8.140700000000001 2.3273 region=output,empty_cube_opt adf.R=1.30
        H 11.7867 -9.680400000000001 3.1455 region=output,empty_cube_opt adf.R=1.30
        H 11.5526 -9.485200000000001 1.388 region=output,empty_cube_opt adf.R=1.30
        Mo 6.1801 -5.6561 8.433199999999999 region=output,empty_cube_opt adf.R=1.992
        Mo 3.7804 -7.1977 8.9956 region=output,empty_cube_opt adf.R=1.992
        Mo 1.8857 -7.786 6.1852 region=output,empty_cube_opt adf.R=1.992
        S 3.9491 -4.9675 8.257899999999999 region=output,empty_cube_opt adf.R=2.16
        S 6.0099 -8.061299999999999 8.806100000000001 region=output,empty_cube_opt adf.R=2.16
        O 6.5967 -5.342 10.0925 region=output,empty_cube_opt adf.R=1.72
        O 3.7378 -7.7238 6.7678 region=output,empty_cube_opt adf.R=1.72
        O 3.6081 -7.0089 10.7076 region=output,empty_cube_opt adf.R=1.72
        O -1.7974 -7.0769 8.3523 region=output,empty_cube_opt adf.R=1.72
        O 3.2552 -9.325900000000001 9.1684 region=output,empty_cube_opt adf.R=1.72
        O 1.8399 -8.7742 4.745 region=output,empty_cube_opt adf.R=1.72
        O 1.7187 -6.1337 5.572 region=output,empty_cube_opt adf.R=1.72
        O 1.9996 -9.8184 7.3291 region=output,empty_cube_opt adf.R=1.72
        C 2.5489 -10.106 8.4305 region=output,empty_cube_opt adf.R=2.00
        C 2.3456 -11.5117 8.9696 region=output,empty_cube_opt adf.R=2.00
        H 2.3005 -12.2327 8.1447 region=output,empty_cube_opt adf.R=1.30
        H 3.1364 -11.7873 9.6762 region=output,empty_cube_opt adf.R=1.30
        H 1.38 -11.536 9.4955 region=output,empty_cube_opt adf.R=1.30
        Mo 5.6488 -8.4259 -6.1749 region=output,empty_cube_opt adf.R=1.992
        Mo 7.1937 -8.995100000000001 -3.7797 region=output,empty_cube_opt adf.R=1.992
        Mo 7.7876 -6.1876 -1.8825 region=output,empty_cube_opt adf.R=1.992
        S 4.9641 -8.2547 -3.9427 region=output,empty_cube_opt adf.R=2.16
        S 8.053900000000001 -8.8057 -6.0105 region=output,empty_cube_opt adf.R=2.16
        O 5.3315 -10.0841 -6.594 region=output,empty_cube_opt adf.R=1.72
        O 7.7231 -6.7693 -3.7353 region=output,empty_cube_opt adf.R=1.72
        O 7.0036 -10.7073 -3.6097 region=output,empty_cube_opt adf.R=1.72
        O 7.0862 -8.3568 1.7999 region=output,empty_cube_opt adf.R=1.72
        O 9.3226 -9.1715 -3.2573 region=output,empty_cube_opt adf.R=1.72
        O 8.777200000000001 -4.7484 -1.8376 region=output,empty_cube_opt adf.R=1.72
        O 6.136 -5.5736 -1.7136 region=output,empty_cube_opt adf.R=1.72
        O 9.8193 -7.3333 -2.0016 region=output,empty_cube_opt adf.R=1.72
        C 10.1047 -8.434699999999999 -2.5522 region=output,empty_cube_opt adf.R=2.00
        C 11.5105 -8.9749 -2.352 region=output,empty_cube_opt adf.R=2.00
        H 12.2329 -8.150700000000001 -2.3152 region=output,empty_cube_opt adf.R=1.30
        H 11.7816 -9.6866 -3.1397 region=output,empty_cube_opt adf.R=1.30
        H 11.5384 -9.4947 -1.3832 region=output,empty_cube_opt adf.R=1.30
        H -5.2033 6.8633 -0.771 region=output,empty_cube_opt adf.R=1.30
        H -5.2027 6.8639 0.7577 region=output,empty_cube_opt adf.R=1.30
        H -6.8763 -0.7722 -5.1976 region=output,empty_cube_opt adf.R=1.30
        H -6.8757 0.7565 -5.1979 region=output,empty_cube_opt adf.R=1.30
        H -6.865 0.7678 5.1987 region=output,empty_cube_opt adf.R=1.30
        H -6.8645 -0.7611 5.1992 region=output,empty_cube_opt adf.R=1.30
        H -5.2012 -6.8718 -0.7625 region=output,empty_cube_opt adf.R=1.30
        H -5.2004 -6.8696 0.7661 region=output,empty_cube_opt adf.R=1.30
        H 5.2041 -6.8693 0.7647 region=output,empty_cube_opt adf.R=1.30
        H 5.2035 -6.8698 -0.764 region=output,empty_cube_opt adf.R=1.30
        H 5.2055 6.8657 -0.758 region=output,empty_cube_opt adf.R=1.30
        H 5.206 6.8647 0.7707000000000001 region=output,empty_cube_opt adf.R=1.30
        H 0.7664 5.1931 -6.8596 region=output,empty_cube_opt adf.R=1.30
        H -0.7624 5.1918 -6.8612 region=output,empty_cube_opt adf.R=1.30
        H -0.7632 5.2011 6.8623 region=output,empty_cube_opt adf.R=1.30
        H 0.7654 5.2 6.8639 region=output,empty_cube_opt adf.R=1.30
        H 6.8758 0.7661 -5.1922 region=output,empty_cube_opt adf.R=1.30
        H 6.8737 -0.7625999999999999 -5.1932 region=output,empty_cube_opt adf.R=1.30
        H 6.8698 -0.7675999999999999 5.2034 region=output,empty_cube_opt adf.R=1.30
        H 6.8691 0.7612 5.2042 region=output,empty_cube_opt adf.R=1.30
        H 0.7684 -5.2013 6.8649 region=output,empty_cube_opt adf.R=1.30
        O -0.0044 -4.9298 -7.4258 region=output,empty_cube_opt adf.R=1.72
        H 0.7599 -5.1935 -6.8509 region=output,empty_cube_opt adf.R=1.30
        H -0.7691 -5.1951 -6.8523 region=output,empty_cube_opt adf.R=1.30
    End
    Charge -40
End

Engine ADF
    Basis
        Type TZP
        Core Small
    End
    XC
        GGA BP86
    End
    Solvation
        Surf Delley
        Solv name=Water cav0=0.0 cav1=0.0067639
        Charged method=CONJ
        C-Mat POT
        SCF VAR ALL 
        CSMRSP
    End
    NumericalQuality Good
EndEngine


