%chk=p7Ag_D_01.chk %mem=60MW %nproc=2 #P B3LYP/LANL2DZ opt(MaxCycles=900,VeryTight) SCF(Tight,MaxCycles=900) Freq=Raman Output=WFN Int=FineGrid nosymm # Pop=Regular Geom=AllCheck p7Ag_D_01.wfn 0 2 C 0 x1 y1 z1 C 0 x2 y2 z2 C 0 x3 y3 z3 C 0 x4 y4 z4 C 0 x5 y5 z5 N 0 x6 y6 z6 H 0 x7 y7 z7 H 0 x8 y8 z8 H 0 x9 y9 z9 H 0 x10 y10 z10 H 0 x11 y11 z11 Ag 0 x12 y12 z12 Ag 0 x13 y13 z13 Ag 0 x14 y14 z14 Ag 0 x15 y15 z15 Ag 0 x16 y16 z16 Ag 0 x17 y17 z17 Ag 0 x18 y18 z18 Variables: x1 0.0000000 F y1 0.0000000 F z1 0.0000000 F x2 0.0000000 F y2 0.0000000 F z2 1.4047160 x3 1.2266420 y3 0.0000000 F z3 2.0942240 x4 2.4227610 y4 0.0193700 z4 1.3548710 x5 2.3509060 y5 0.0472660 z5 -0.0457620 x6 1.1612920 y6 0.0381380 z6 -0.7117330 x7 1.2479510 y7 -0.0087210 z7 3.1801130 x8 -0.9241120 y8 -0.0104480 z8 -0.5678810 x9 -0.9442070 y9 -0.0159770 z9 1.9401360 x10 3.3919830 y10 0.0224970 z10 1.8427000 x11 3.2480250 y11 0.0857660 z11 -0.6551150 x12 1.2846200 y12 0.3255910 z12 -2.9465860 x13 1.1036850 y13 0.6806460 z13 -5.5877890 x14 3.6554400 y14 0.8519170 z14 -4.3614000 x15 5.9857520 y15 1.0383610 z15 -2.9263010 x16 8.2729370 y16 0.6245370 z16 -1.5966460 x17 9.0627530 y17 1.9882920 z17 -3.8153840 x18 11.1122980 y18 2.3332880 z18 -5.4585620 p7Ag_D_01.wfn