%chk=ts318 #m062x/gen integral=ultrafine opt=(ts,noeigentest,calcfc,noraman) freq=noraman temperature=298 IOP(2/17=4) ts search 0 1 N 0.369306 2.036964 -0.644869 C 2.785165 -0.682877 0.774344 C 1.774783 -0.429981 0.195759 C 0.579466 -0.148170 -0.576070 C -0.263538 -1.333059 -0.766084 C -1.498287 -1.377715 -0.244330 C -1.998123 -0.298114 0.587391 C -1.347329 0.866727 0.761161 C -0.171719 1.033617 -0.042451 H 0.200656 3.004789 -0.420939 H 1.027723 1.065656 -1.300542 H 3.668584 -0.900657 1.297843 H 0.153264 -2.180927 -1.273276 H -2.118633 -2.241934 -0.368824 H -2.942063 -0.447749 1.075669 H -1.737183 1.659510 1.365833 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=ts318 #CCSD(T)/aug-cc-pvtz geom=check guess=read sp calc 0 1