%chk=000287469.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000287469

0 1
O -1.429411 0.442106 0.032422
C 4.711344 -0.461231 0.062603
C 5.964488 0.424644 0.075197
C 3.429792 0.382862 0.060298
C 7.247075 -0.418098 0.077399
C 2.176293 -0.502667 0.047775
C 8.499784 0.468001 0.090185
C 0.900772 0.345795 0.045304
C 9.783937 -0.373388 0.092467
C -0.344847 -0.538102 0.033060
C 11.033944 0.503740 0.105083
C -2.727052 -0.012141 0.022370
C -5.051422 0.663952 0.012927
C -3.671156 1.001118 0.022775
C -5.440237 -0.704899 0.002836
C -3.096782 -1.390361 0.012299
C -4.431457 -1.715902 0.002782
C -6.069836 1.675132 0.012905
C -6.833100 -1.035724 -0.007027
C -7.394735 1.325292 0.003319
C -7.784433 -0.048357 -0.006801
H 4.718409 -1.134178 0.941730
H 4.728612 -1.123511 -0.824446
H 5.958793 1.098104 -0.803597
H 5.948666 1.087314 0.962035
H 3.424297 1.056641 -0.818610
H 3.414136 1.046040 0.947111
H 7.263942 -1.080313 -0.809623
H 7.253693 -1.091305 0.956247
H 2.183939 -1.174431 0.928444
H 2.194264 -1.164048 -0.840568
H 8.495175 1.141899 -0.787982
H 8.484889 1.130980 0.976513
H 0.871020 1.015292 0.929324
H 0.881156 1.025393 -0.831260
H 9.801473 -1.035692 -0.795127
H 9.791234 -1.046523 0.972020
H -0.424518 -1.152893 -0.878617
H -0.434985 -1.163309 0.936633
H 11.944949 -0.105034 0.106832
H 11.077666 1.156966 -0.773810
H 11.067242 1.146431 0.992162
H -3.357564 2.041766 0.030546
H -2.337914 -2.165366 0.012148
H -4.741219 -2.761832 -0.005026
H -5.763325 2.719526 0.020652
H -7.118715 -2.086682 -0.014687
H -8.173677 2.086826 0.003242
H -8.844800 -0.290335 -0.014264


%chk=000287469-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000287469

0 1
O -1.508652 0.619362 0.034133
C 4.752626 -0.422677 0.066811
C 6.051710 0.414359 0.076882
C 3.472516 0.442494 0.063673
C 7.335973 -0.445261 0.079782
C 2.170244 -0.389763 0.052141
C 8.633350 0.394501 0.088887
C 0.901835 0.494156 0.049259
C 9.919296 -0.463598 0.091465
C -0.383785 -0.335430 0.035708
C 11.209475 0.384867 0.100320
C -2.817249 0.110461 0.022121
C -5.213832 0.655366 0.011393
C -3.845457 1.061536 0.022627
C -5.536105 -0.760233 -0.000765
C -3.126130 -1.291014 0.009949
C -4.460082 -1.704209 -0.001199
C -6.290801 1.606961 0.011977
C -6.911945 -1.165043 -0.011843
C -7.620106 1.181658 0.001134
C -7.936454 -0.216322 -0.010915
H 4.741550 -1.092450 0.952194
H 4.750672 -1.085199 -0.824083
H 6.062093 1.084550 -0.808165
H 6.053190 1.077295 0.967435
H 3.485234 1.112693 -0.820915
H 3.475130 1.104256 0.954673
H 7.335332 -1.108480 -0.810690
H 7.327087 -1.114979 0.965329
H 2.157894 -1.059402 0.937575
H 2.168021 -1.050526 -0.840032
H 8.643500 1.064489 -0.796441
H 8.635492 1.057807 0.979289
H 0.894761 1.148144 0.942186
H 0.906332 1.158896 -0.835714
H 9.916308 -1.125987 -0.798337
H 9.908487 -1.132469 0.976340
H -0.433578 -0.974642 -0.870872
H -0.445594 -0.985685 0.933647
H 12.114136 -0.250718 0.102292
H 11.258099 1.040128 -0.789961
H 11.249874 1.033949 0.995532
H -3.582338 2.124471 0.032056
H -2.326927 -2.037821 0.009327
H -4.694535 -2.775461 -0.010554
H -6.051744 2.677095 0.021251
H -7.148514 -2.236182 -0.021116
H -8.431823 1.917806 0.001805
H -8.984765 -0.534247 -0.019395


