%chk=ts528 #m062x/gen integral=ultrafine opt=(ts,noeigentest,calcfc,noraman) freq=noraman temperature=298 IOP(2/17=4) ts search 0 1 N -1.735835 -1.061020 0.114312 C -2.565822 -0.296478 -0.254377 C -1.308720 1.514592 -0.254282 C -0.242427 0.857009 0.147164 C 1.152011 1.346868 0.192286 C 2.163410 0.512572 -0.026661 C 1.919950 -0.913604 -0.306952 C 0.730393 -1.459086 -0.114023 C -0.359329 -0.628707 0.511735 H -0.328802 -0.750976 1.590751 H -2.880342 0.731729 -0.531677 H -1.316150 2.566659 -0.486561 H 1.313366 2.398370 0.323528 H 3.174334 0.868160 -0.054084 H 2.732791 -1.497655 -0.691531 H 0.518846 -2.488132 -0.319953 H 0 S 3 1.00 3.386500000000E+01 2.549380000000E-02 5.094790000000E+00 1.903730000000E-01 1.158790000000E+00 8.521610000000E-01 S 1 1.00 3.258400000000E-01 1.000000000000E+00 S 1 1.00 1.027410000000E-01 1.000000000000E+00 P 1 1.00 1.500000000000E+00 1.000000000000E+00 P 1 1.00 3.750000000000E-01 1.000000000000E+00 **** C 0 S 6 1.00 4.563240000000E+03 1.966650000000E-03 6.820240000000E+02 1.523060000000E-02 1.549730000000E+02 7.612690000000E-02 4.445530000000E+01 2.608010000000E-01 1.302900000000E+01 6.164620000000E-01 1.827730000000E+00 2.210060000000E-01 S 3 1.00 2.096420000000E+01 1.146600000000E-01 4.803310000000E+00 9.199990000000E-01 1.459330000000E+00 -3.030680000000E-03 S 1 1.00 4.834560000000E-01 1.000000000000E+00 S 1 1.00 1.455850000000E-01 1.000000000000E+00 S 1 1.00 4.380000000000E-02 1.000000000000E+00 P 3 1.00 2.096420000000E+01 4.024870000000E-02 4.803310000000E+00 2.375940000000E-01 1.459330000000E+00 8.158540000000E-01 P 1 1.00 4.834560000000E-01 1.000000000000E+00 P 1 1.00 1.455850000000E-01 1.000000000000E+00 P 1 1.00 4.380000000000E-02 1.000000000000E+00 D 1 1.00 1.252000000000E+00 1.000000000000E+00 D 1 1.00 3.130000000000E-01 1.000000000000E+00 F 1 1.00 8.000000000000E-01 1.000000000000E+00 **** N 0 S 6 1.00 6.293480000000E+03 1.969790000000E-03 9.490440000000E+02 1.496130000000E-02 2.187760000000E+02 7.350060000000E-02 6.369160000000E+01 2.489370000000E-01 1.882820000000E+01 6.024600000000E-01 2.720230000000E+00 2.562020000000E-01 S 3 1.00 3.063310000000E+01 1.119060000000E-01 7.026140000000E+00 9.216660000000E-01 2.112050000000E+00 -2.569190000000E-03 S 1 1.00 6.840090000000E-01 1.000000000000E+00 S 1 1.00 2.008780000000E-01 1.000000000000E+00 S 1 1.00 6.390000000000E-02 1.000000000000E+00 P 3 1.00 3.063310000000E+01 3.831190000000E-02 7.026140000000E+00 2.374030000000E-01 2.112050000000E+00 8.175920000000E-01 P 1 1.00 6.840090000000E-01 1.000000000000E+00 P 1 1.00 2.008780000000E-01 1.000000000000E+00 P 1 1.00 6.390000000000E-02 1.000000000000E+00 D 1 1.00 1.826000000000E+00 1.000000000000E+00 D 1 1.00 4.565000000000E-01 1.000000000000E+00 F 1 1.00 1.000000000000E+00 1.000000000000E+00 **** --Link1-- %chk=ts528 #CCSD(T)/aug-cc-pvtz geom=check guess=read sp calc 0 1