%nproc=12 %mem=20200MB %chk=frozen.chk #p b97d/gen opt=(modredun) pseudo=(read) scrf=(SMD,solvent=MethylEthanoate) Title Card Required 0 1 N 6.94123676 -2.91032494 2.34648307 C 6.81693776 -3.90174694 3.24423407 C 8.58313676 -2.70348994 3.85111507 C 7.83422976 -3.82193094 4.22374507 H 5.99558876 -4.60808094 3.15323507 H 9.46063276 -2.24279594 4.29729107 H 7.99975976 -4.47591494 5.07659407 N 7.89321176 -1.79936094 -0.38658393 C 8.50675676 -1.94125194 -1.57538393 C 9.84172476 -1.48465594 -1.50369593 H 7.96128476 -2.36469094 -2.41642493 C 9.98772976 -1.05415894 -0.18319993 H 10.59037476 -1.47190494 -2.29187093 H 10.83636276 -0.62682094 0.34401307 N 6.14538076 0.04064206 1.45395607 C 5.44443176 1.15319906 1.73421807 C 6.22079376 2.05095906 2.50141207 H 4.42394976 1.25173806 1.37119807 C 7.44456576 1.39631706 2.66136707 H 5.93877276 3.03075106 2.87903807 H 8.35574176 1.68998506 3.17575607 N 8.02735576 -2.17879694 2.72296407 N 7.37328276 0.19609006 2.02238307 N 8.80777076 -1.25324494 0.46571107 H 9.48548676 -0.46988694 2.47668907 B 8.48353476 -0.90458094 1.95344907 Ag 5.74679976 -2.04310894 0.42810107 N 3.67465252 -2.50542561 0.01480032 N 2.77378159 -1.89519761 -0.44623658 C 0.87047693 -1.26437195 -0.05211345 C 0.95925403 0.18611642 0.19513497 O 0.08426874 0.77377148 0.84255510 O 2.12561901 0.78243341 -0.19448386 C 2.33694026 2.13543159 0.30347695 H 1.54225776 2.80576644 -0.05442568 H 2.36453972 2.13903390 1.40358718 H 3.30836237 2.43637994 -0.10859276 H 0.54649021 -1.56570450 -1.05589168 C -1.99444995 -1.55385322 1.16926046 O -1.49906814 -1.57939757 0.03400476 C -1.21326457 -1.71189208 2.45039347 H -1.18066456 -0.74952007 2.98687002 H -1.71982124 -2.43402298 3.11093865 H -0.19629933 -2.04464441 2.21040121 O -3.31399118 -1.42479668 1.40129898 C -4.19958213 -1.25395067 0.24163148 H -3.93383235 -0.30676918 -0.25128329 H -4.02148032 -2.08227694 -0.45925867 C -5.62818790 -1.24653621 0.76186772 H -6.31626090 -1.10670873 -0.08813458 H -5.87455785 -2.20068379 1.25496028 H -5.78660733 -0.42361811 1.47711761 29 F 30 F 40 F -H -B -C -N -O 0 6-31+g* **** Ag 0 SDD **** Ag 0 SDD --link1-- %nproc=12 %mem=20200MB %chk=frozen.chk #p b97d/gen geom=checkpoint opt=(ts,calcfc,noeigentest) freq pseudo=(read) scrf=(SMD,solvent=MethylEthanoate) Title Card Required 0 1 -H -B -C -N -O 0 6-31+g* **** Ag 0 SDD **** Ag 0 SDD