%chk=000003342.chk
%nprocshared=24
%mem=100GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003342

0 1
O 1.513276 1.628074 -0.301916
O -3.807055 -2.429241 1.057906
O -1.517846 -2.235282 0.892236
C -2.975300 -0.681757 -0.385161
C -2.087306 0.539822 -0.144007
C -0.685334 0.460444 -0.329996
C -2.869052 -1.221898 -1.845015
C -2.670585 1.764853 0.262377
C 0.115142 1.597159 -0.086319
C -2.639680 -1.824068 0.573836
C -1.857833 2.902333 0.479023
C -0.460790 2.825334 0.311654
C 2.332700 0.477283 -0.159063
C 2.070843 -0.564788 0.761548
C 3.509623 0.481353 -0.940862
C 3.005541 -1.617991 0.881108
C 4.434928 -0.575473 -0.805086
C 4.186461 -1.631812 0.103372
H -4.026807 -0.405031 -0.197025
H -0.226128 -0.481412 -0.641032
H -3.189201 -0.436602 -2.550834
H -1.830487 -1.504134 -2.087361
H -3.515028 -2.106657 -1.985258
H -3.754729 1.829063 0.410983
H -2.313849 3.849116 0.787824
H 0.190221 3.688246 0.479377
H 1.164101 -0.563290 1.373020
H 3.680929 1.310190 -1.634327
H 2.803672 -2.428640 1.589736
H 5.348150 -0.573555 -1.410419
H -3.559384 -3.193295 1.648073
H 4.903809 -2.453043 0.204809


%chk=000003342-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000003342

0 1
O 1.487025 1.620862 -0.228509
O -3.571464 -2.009695 1.468595
O -1.608124 -2.599322 0.380766
C -2.981787 -0.722097 -0.495138
C -2.107750 0.501277 -0.173294
C -0.699750 0.430743 -0.321049
C -2.825554 -1.186603 -1.966871
C -2.710204 1.709957 0.251684
C 0.085884 1.569196 -0.036307
C -2.618661 -1.865313 0.450980
C -1.909742 2.845320 0.518520
C -0.508925 2.782650 0.379113
C 2.310734 0.469965 -0.115703
C 2.079350 -0.561233 0.824254
C 3.458517 0.462728 -0.938748
C 3.011570 -1.618427 0.921162
C 4.383782 -0.597274 -0.825300
C 4.163290 -1.644124 0.100920
H -4.034321 -0.457255 -0.299170
H -0.228893 -0.501706 -0.648047
H -3.057015 -0.350486 -2.648488
H -1.795028 -1.526456 -2.163826
H -3.510231 -2.024113 -2.191236
H -3.797847 1.762707 0.373777
H -2.379118 3.780747 0.841608
H 0.131434 3.646345 0.580312
H 1.196736 -0.541453 1.470237
H 3.608339 1.284030 -1.645948
H 2.833408 -2.421941 1.644107
H 5.274893 -0.605519 -1.462589
H -3.287601 -2.740310 2.083957
H 4.880056 -2.467900 0.183433


