%chk=000186375.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186375

0 1
O -3.258417 2.976476 0.666142
O -2.540257 -3.100167 -0.553950
O -3.492845 -1.496620 -1.787753
C -2.622129 -0.988655 0.490167
C -1.475158 -0.052382 0.180983
C -1.728650 1.291604 -0.131183
C -3.873676 -0.237477 0.977155
C -3.129697 1.866991 -0.240490
C -4.265502 0.865981 -0.001362
C -0.143108 -0.527738 0.228904
C 0.928804 0.378023 -0.001167
C 0.659432 1.745511 -0.289933
C -0.668431 2.180327 -0.355644
C 2.299131 -0.079166 0.059816
C 0.187466 -1.917197 0.502459
C -2.953882 -1.796532 -0.752670
C 2.582978 -1.442720 0.342689
C 3.368952 0.833300 -0.162043
C 1.772668 2.653989 -0.512181
C 1.470077 -2.349405 0.557564
C 3.054578 2.222940 -0.451555
C 3.918793 -1.874240 0.402152
C 4.692732 0.372582 -0.096173
C 4.959561 -0.970414 0.184192
H -2.305759 -1.702949 1.303115
H -3.667148 0.190226 1.978928
H -4.715190 -0.944117 1.116714
H -3.262727 2.372560 -1.230917
H -4.563916 0.415042 -0.975372
H -5.158163 1.412799 0.363496
H -0.891037 3.228114 -0.572975
H -0.638505 -2.620177 0.649416
H 1.533746 3.695465 -0.729573
H 1.703965 -3.394694 0.761270
H 3.889810 2.903287 -0.618202
H -3.083222 2.697841 1.586448
H 4.141877 -2.917702 0.618581
H 5.516909 1.064050 -0.264470
H 5.992480 -1.314964 0.232420
H -2.708740 -3.685993 -1.338601


%chk=000186375-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186375

0 1
O -3.325247 2.902174 0.967372
O -2.958227 -3.260793 -0.307726
O -3.091238 -1.577354 -1.899108
C -2.639236 -0.996574 0.486918
C -1.485811 -0.029031 0.200008
C -1.738553 1.336471 -0.103099
C -3.958840 -0.253748 0.854620
C -3.147154 1.927023 -0.150111
C -4.264088 0.870289 -0.150502
C -0.133281 -0.507756 0.246352
C 0.959052 0.403968 0.002992
C 0.684136 1.789518 -0.292167
C -0.660696 2.221202 -0.339591
C 2.321546 -0.053974 0.049109
C 0.193927 -1.893789 0.525635
C -2.903391 -1.912250 -0.710787
C 2.611961 -1.435932 0.338354
C 3.407008 0.866821 -0.193571
C 1.789411 2.693504 -0.534214
C 1.505109 -2.334135 0.571134
C 3.097567 2.251091 -0.485820
C 3.964754 -1.871532 0.383069
C 4.744503 0.391005 -0.139790
C 5.018249 -0.964465 0.146358
H -2.372668 -1.653931 1.332084
H -3.841650 0.165789 1.873944
H -4.793227 -0.976917 0.905006
H -3.249571 2.574297 -1.038158
H -4.361710 0.444375 -1.166192
H -5.214005 1.374188 0.100371
H -0.883636 3.273046 -0.554616
H -0.610780 -2.615457 0.694877
H 1.563311 3.742620 -0.757224
H 1.723731 -3.387207 0.784824
H 3.927409 2.943551 -0.669335
H -2.998175 2.483496 1.804610
H 4.181510 -2.923389 0.602831
H 5.568248 1.090528 -0.324348
H 6.055940 -1.313245 0.183233
H -3.158390 -3.829677 -1.100945


