%chk=ts30 #m062x/gen integral=ultrafine opt=(ts,noeigentest,calcfc,noraman) freq=noraman temperature=298 IOP(2/17=4) ts search 0 1 N -1.573698 -1.049672 0.003167 C -2.624289 -0.488664 -0.378310 C -1.310943 1.609095 0.156440 C -0.202561 0.824087 0.094927 C 1.139130 1.334739 -0.093217 C 2.192127 0.505139 -0.111736 C 2.025497 -0.922491 0.009231 C 0.801966 -1.460848 0.112617 C -0.352852 -0.613494 0.111725 H -1.264008 2.645074 -0.118579 H -3.537283 -0.573103 0.204960 H -2.191667 1.322558 0.695002 H 1.271126 2.395811 -0.169364 H 3.184883 0.896939 -0.211058 H 2.896101 -1.546565 -0.004065 H 0.648285 -2.518386 0.170874 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=ts30 #CCSD(T)/aug-cc-pvtz geom=check guess=read sp calc 0 1