%chk=000191480.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191480

0 1
O -1.163959 -2.362140 -1.326790
O -3.140701 1.341975 -1.777437
O 6.664516 0.438963 0.479178
O -6.743520 0.273942 -0.067307
O 5.816365 0.693935 -1.601976
C 1.810161 0.390675 0.353848
C 1.016863 -0.888920 -0.065689
C -0.413702 -0.864587 0.483789
C -1.142886 0.374455 -0.096905
C 3.224196 0.032836 -0.206082
C -2.597257 0.488501 0.459596
C 1.124900 1.590754 -0.322212
C -0.346918 1.681833 0.115698
C 1.951499 -2.047419 0.322353
C 3.373157 -1.488129 0.077047
C -1.173889 -2.145482 0.088135
C 1.860481 0.595713 1.875755
C -3.357743 -0.829374 0.345783
C -2.625154 -2.112959 0.591770
C -3.337257 1.586620 -0.378407
C 4.368667 0.867159 0.379140
C -2.615995 0.885189 1.944814
C -4.830058 1.681304 -0.071750
C -4.682972 -0.856080 0.116660
C -5.534170 0.340809 -0.016546
C 5.631697 0.667088 -0.409263
C 7.989745 0.255354 -0.084146
H 0.934373 -0.903445 -1.186176
H -0.389084 -0.797743 1.597476
H -1.232936 0.223532 -1.208913
H 3.218078 0.191247 -1.314383
H 1.187179 1.499868 -1.423749
H 1.646183 2.532402 -0.072784
H -0.387864 1.982704 1.180634
H -0.836814 2.497285 -0.455048
H 1.757876 -2.943890 -0.289318
H 1.818382 -2.347254 1.373648
H -0.652615 -3.060217 0.457928
H 4.021155 -1.674501 0.948571
H 3.855544 -1.990552 -0.777744
H 2.337660 1.544916 2.137337
H 0.855393 0.608489 2.312927
H 2.416546 -0.207253 2.371729
H -2.645957 -2.323132 1.683898
H -3.166404 -2.967825 0.123843
H -2.839250 2.577254 -0.248747
H 4.538900 0.624024 1.450854
H 4.105004 1.947068 0.354049
H -3.632895 0.885043 2.355350
H -2.021473 0.187572 2.547876
H -2.196291 1.885824 2.103013
H -5.327164 2.322264 -0.835078
H -5.005190 2.214196 0.885750
H -5.238598 -1.795290 0.047609
H -1.496087 -1.572598 -1.806838
H -3.676651 0.581188 -2.084904
H 8.565180 -0.125103 0.765727
H 8.363264 1.223362 -0.430800
H 7.954088 -0.463448 -0.909791


%chk=000191480-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000191480

0 1
O -1.187175 -2.429471 -1.264902
O -2.939018 1.649681 -1.773283
O 6.816954 0.890925 0.171751
O -6.651625 0.299146 -1.074127
O 5.711319 -0.090730 -1.626030
C 1.839629 0.295740 0.524107
C 0.995413 -0.948313 0.106335
C -0.462380 -0.898373 0.602558
C -1.142616 0.393617 0.049374
C 3.215804 -0.112543 -0.097644
C -2.657752 0.540029 0.485025
C 1.176111 1.546834 -0.097230
C -0.307989 1.675260 0.341371
C 1.886231 -2.159900 0.479246
C 3.347250 -1.638494 0.241565
C -1.254746 -2.162637 0.185229
C 1.966128 0.452399 2.064438
C -3.405506 -0.780843 0.231777
C -2.722964 -2.066239 0.660699
C -3.321147 1.699443 -0.345624
C 4.425551 0.736229 0.332159
C -2.785550 0.880070 2.005895
C -4.854204 1.725397 -0.214342
C -4.669916 -0.821036 -0.306435
C -5.481720 0.379311 -0.589054
C 5.668214 0.446301 -0.495859
C 8.094628 0.706281 -0.559519
H 0.941870 -0.929321 -1.004330
H -0.467480 -0.884534 1.713896
H -1.156920 0.302465 -1.059203
H 3.122528 -0.016675 -1.198998
H 1.224257 1.469337 -1.203181
H 1.717265 2.472749 0.185804
H -0.346449 1.920515 1.419955
H -0.757254 2.528782 -0.198664
H 1.653979 -3.043211 -0.140243
H 1.739467 -2.451455 1.537864
H -0.783159 -3.058598 0.623803
H 3.969864 -1.783152 1.145913
H 3.848267 -2.176019 -0.581352
H 2.550688 1.357777 2.313351
H 0.984908 0.557738 2.558726
H 2.476598 -0.412399 2.525172
H -2.718085 -2.109940 1.770959
H -3.289665 -2.944434 0.303795
H -2.903069 2.661533 -0.005229
H 4.679460 0.592701 1.397484
H 4.203236 1.816985 0.208490
H -3.830884 0.797223 2.351832
H -2.176919 0.195474 2.622257
H -2.441015 1.909580 2.209439
H -5.285060 2.517000 -0.851722
H -5.147625 1.956298 0.828888
H -5.163903 -1.783227 -0.493737
H -1.678401 -1.715788 -1.747324
H -3.511964 0.989712 -2.241876
H 8.862615 1.121114 0.108192
H 8.067720 1.246645 -1.520810
H 8.271805 -0.364959 -0.753628


