%nproc=12 %mem=20200MB #p b97d/gen opt=(ts,calcfc,noeigentest) pseudo=(read) freq scrf=(SMD,solvent=MethylEthanoate) Title Card Required 0 1 N -1.34976500 1.63599100 -1.01120100 C -0.84729100 2.67316200 -1.70439900 C -1.84527700 3.51688400 0.08767700 C -1.13310000 3.89442000 -1.05291600 H -0.31058100 2.49207200 -2.63389300 H -2.27732200 4.10472700 0.89324300 H -0.86639600 4.90100500 -1.36538900 N -3.49328700 -0.57110700 -0.41105100 C -4.67162600 -1.12157200 -0.75449400 C -5.73127900 -0.51694000 -0.04127800 H -4.69926200 -1.92142000 -1.49200400 C -5.10480100 0.44138900 0.75832500 H -6.79335800 -0.74235000 -0.09614400 H -5.50488400 1.15258300 1.47610300 N -0.82630400 -0.52868300 1.25568500 C -0.08784000 -1.14109600 2.19761600 C -0.38652200 -0.62883900 3.48041200 H 0.61661900 -1.91724400 1.91098200 C -1.36594400 0.33792800 3.24362800 H 0.04449800 -0.91675200 4.43611600 H -1.90352300 0.99876200 3.91841800 N -1.95940500 2.15987500 0.09069700 N -1.61085500 0.37839100 1.90441500 N -3.76558200 0.38967900 0.51902000 H -3.17673900 2.00469300 1.98913400 B -2.65830600 1.27632100 1.17295600 Ag -1.25921900 -0.71422200 -1.07178700 N 0.14298500 -1.96405800 -2.14766000 N 1.22400700 -2.31287400 -2.11319400 C 2.82189300 -1.50324700 -1.19106400 C 3.13059600 -2.34794700 -0.00888900 O 3.73072600 -1.96699700 0.99976800 O 2.54540300 -3.58607100 -0.09739600 C 2.62437100 -4.40715100 1.10157200 H 3.66022800 -4.73987900 1.26681800 H 2.26788300 -3.85293200 1.98165900 H 1.97358800 -5.26690000 0.89795300 H 3.49769700 -1.61823600 -2.04665700 C 3.31734500 1.03785600 -0.02182900 O 3.90798100 0.21035900 -0.74259400 C 1.96187700 0.84383800 0.59505600 H 2.06355900 0.10487400 1.40455500 H 1.56526800 1.78210100 1.00375000 H 1.27570700 0.42282700 -0.15206500 O 3.87977900 2.20955700 0.28637800 C 5.23462900 2.48508900 -0.23368600 H 5.89275700 1.66208800 0.07875800 H 5.17411500 2.50189300 -1.33143400 C 5.67326200 3.82258800 0.33871800 H 6.68004700 4.05476800 -0.04582900 H 4.98905000 4.63034800 0.03346500 H 5.72044500 3.78631300 1.43875200 -H -B -C -N -O 0 6-31+g* **** Ag 0 SDD **** Ag 0 SDD