%chk=000195713.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000195713

0 1
O 2.301010 -0.530375 1.586650
O 2.013631 -1.264351 -0.611185
O 5.428245 1.103228 1.824788
O 6.184981 -1.365912 0.557636
O 4.011611 -3.350953 1.021071
O 3.050375 2.803890 0.272835
O -1.479666 -0.874665 -3.811201
O -2.305782 -0.706338 2.091071
O -3.829045 -0.593209 -3.072723
O 1.575378 3.792718 1.678593
O -7.245244 0.656162 2.082310
C 4.539986 0.377798 0.959565
C 4.926014 -1.097142 1.188339
C 3.083605 0.665622 1.384794
C 3.940524 -2.034792 0.463249
C 2.474429 -1.624829 0.721847
C 2.337010 1.543519 0.370585
C 0.665909 -1.103554 -0.849812
C 0.321896 -1.089919 -2.209109
C -0.291520 -0.926269 0.167119
C -1.623717 -0.747280 -0.184145
C -2.035587 -0.726040 -1.529561
C -1.047062 -0.900400 -2.524743
C -2.625383 -0.576352 0.929287
C -3.454046 -0.527340 -1.920469
C -4.032677 -0.241045 0.530611
C -4.416197 -0.226102 -0.817616
C 1.348717 -1.272345 -3.272671
C 2.551853 3.891812 0.981701
C -4.954546 0.048868 1.538826
C -5.747374 0.080133 -1.160629
C 3.415481 5.068049 0.700690
C -6.273214 0.356315 1.166835
C -6.685808 0.375340 -0.178126
H 4.739109 0.683365 -0.093780
H 5.003874 -1.330550 2.276106
H 3.056493 1.112710 2.412325
H 4.171242 -2.086076 -0.630132
H 1.848968 -2.426986 1.177059
H 1.283745 1.706532 0.677049
H 2.370164 1.143519 -0.660354
H 5.386085 2.062827 1.613615
H 6.878406 -0.780049 0.948207
H 4.928424 -3.704806 0.912262
H 0.000055 -0.912916 1.224096
H 2.029770 -0.408547 -3.319319
H 1.973597 -2.157624 -3.067601
H 0.904549 -1.405142 -4.271513
H -4.641637 0.028481 2.583587
H -6.032221 0.081130 -2.220008
H -0.724054 -1.024706 -4.460613
H 4.225446 4.844957 -0.011648
H 3.870740 5.453195 1.627558
H 2.818425 5.892744 0.274314
H -7.719585 0.616513 -0.422742
H -6.907284 0.628287 3.014719


%chk=000195713-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000195713

0 1
O 2.208983 -0.413013 1.730853
O 1.941498 -1.099755 -0.579148
O 5.655371 1.020261 1.531643
O 6.101731 -1.668129 0.903431
O 3.694126 -3.437928 1.255261
O 3.571117 2.944066 0.851696
O -1.464221 -0.530138 -3.941358
O -2.409676 -0.680973 2.087721
O -4.015717 -0.330675 -3.184981
O 2.018244 4.365301 -0.143792
O -7.552462 -0.172471 2.162244
C 4.532896 0.248789 0.986277
C 4.789063 -1.213813 1.361958
C 3.190327 0.699949 1.610585
C 3.751842 -2.101947 0.665113
C 2.328825 -1.508977 0.790220
C 2.538916 1.857637 0.843970
C 0.570521 -0.914682 -0.863134
C 0.245361 -0.807591 -2.238663
C -0.424862 -0.838911 0.132085
C -1.773572 -0.677174 -0.244421
C -2.166642 -0.575228 -1.617679
C -1.124186 -0.634494 -2.596704
C -2.774341 -0.606136 0.870124
C -3.605321 -0.415526 -1.983455
C -4.208360 -0.446185 0.503092
C -4.597677 -0.359144 -0.861133
C 1.309782 -0.890914 -3.314573
C 3.162751 4.186186 0.314911
C -5.174670 -0.385879 1.534024
C -5.975479 -0.212210 -1.171266
C 4.289979 5.191187 0.385992
C -6.537129 -0.239399 1.201953
C -6.942013 -0.152430 -0.156469
H 4.503997 0.351295 -0.120065
H 4.704240 -1.328083 2.462788
H 3.386090 1.003370 2.655055
H 4.026410 -2.156530 -0.408132
H 1.634357 -2.276812 1.170519
H 1.621518 2.218312 1.337827
H 2.308932 1.587652 -0.200963
H 5.469971 1.979759 1.353763
H 6.765602 -0.989456 1.193185
H 4.608888 -3.819462 1.231139
H -0.193048 -0.873960 1.199420
H 1.370357 0.041413 -3.912324
H 2.297293 -1.053131 -2.859991
H 1.127494 -1.735695 -4.009346
H -4.827364 -0.457057 2.572246
H -6.258776 -0.147025 -2.226095
H -0.652305 -0.576409 -4.510107
H 5.131707 4.866991 -0.251459
H 4.667358 5.276333 1.419335
H 3.930281 6.170555 0.040143
H -8.006239 -0.039517 -0.381908
H -7.183672 -0.241098 3.078194


