%chk=ts65 #m062x/gen integral=ultrafine opt=(ts,noeigentest,calcfc,noraman) freq=noraman temperature=298 IOP(2/17=4) ts search 0 2 C -0.310979 -0.711584 -0.026653 N -1.571998 -1.224046 -0.033061 C -2.384109 -0.179636 -0.028006 C -1.669346 1.105775 -0.069811 C -0.313015 0.709347 -0.025435 C 0.916524 -1.411099 0.002419 C 2.068434 -0.692129 0.013909 C 2.065365 0.733056 0.012830 C 0.900411 1.432435 0.003760 H -2.350021 0.509360 1.056655 H -2.109012 2.068498 -0.188969 H 0.896714 2.504392 0.008081 H 3.003907 1.250049 0.019912 H 3.012411 -1.200131 0.027064 H 0.910278 -2.480830 0.010610 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=ts65 #CCSD(T)/aug-cc-pvtz scf=xqc geom=check guess=read sp calc 0 2