%chk=000298141.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298141

0 1
O -2.558705 -2.017772 0.545553
O -5.404153 -1.364106 0.245682
O -6.002075 1.310026 -0.647878
O 4.009382 -2.248542 -1.187107
O 4.620436 1.710960 1.740468
O 5.893702 -0.563875 0.348045
C -1.996067 0.134847 -0.139664
C -2.343268 1.440382 -0.575439
C 0.367821 0.709542 -0.222185
C -0.625181 -0.215259 0.026420
C 1.795838 0.359667 -0.048815
C -3.054404 -0.810703 0.141006
C -1.294468 2.380139 -0.827646
C 0.020007 2.026920 -0.653181
C -3.713550 1.786175 -0.772640
C -4.386420 -0.450864 -0.020110
C -4.699245 0.862875 -0.509178
C 2.613552 1.159916 0.757863
C 2.314939 -0.778195 -0.676095
C 3.676387 -1.098203 -0.524027
C 3.973779 0.837344 0.907794
C 4.536561 -0.270216 0.232621
C -3.487170 -3.105126 0.803177
C -6.154888 -1.029132 1.450568
C -6.862469 0.487982 -1.483755
C 5.287500 -2.878073 -0.910072
C 5.932574 1.357489 2.250796
C 6.689375 0.086514 -0.686139
H -0.383993 -1.228629 0.360765
H -1.563431 3.381730 -1.160355
H 0.821395 2.742063 -0.845606
H -3.977608 2.778184 -1.132516
H 2.212981 2.020534 1.289240
H 1.686034 -1.423054 -1.286615
H -2.804335 -3.954721 0.918251
H -4.169463 -3.238408 -0.044430
H -4.042589 -2.899379 1.721691
H -6.909476 -1.820253 1.481642
H -6.612150 -0.038925 1.342119
H -5.496398 -1.062229 2.321535
H -6.544115 0.594940 -2.524542
H -7.845057 0.941596 -1.316912
H -6.839715 -0.561610 -1.167208
H 5.105122 -3.910402 -1.230505
H 5.537847 -2.820807 0.154952
H 6.056801 -2.395681 -1.518378
H 5.996305 0.288690 2.482479
H 5.997568 1.974151 3.154800
H 6.685565 1.642153 1.511611
H 6.592160 1.172952 -0.608527
H 6.375938 -0.259254 -1.675126
H 7.703221 -0.246248 -0.444827


%chk=000298141-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000298141

0 1
O -2.596573 -2.111023 0.519039
O -5.391483 -1.420100 0.378686
O -6.113362 1.277637 -0.270096
O 3.989787 -2.500112 -0.887101
O 5.081781 2.020867 0.826868
O 5.990577 -0.593554 -0.013939
C -1.999124 0.165887 -0.050211
C -2.389201 1.533227 -0.320543
C 0.390887 0.789886 -0.164474
C -0.614164 -0.173618 0.026335
C 1.835045 0.427390 -0.093303
C -3.029602 -0.822064 0.164943
C -1.351490 2.504742 -0.507369
C -0.007113 2.146859 -0.432583
C -3.775387 1.871288 -0.419461
C -4.385953 -0.457647 0.108485
C -4.752253 0.897150 -0.225460
C 2.801430 1.367087 0.355640
C 2.277838 -0.871708 -0.454996
C 3.643943 -1.222581 -0.406831
C 4.164961 1.023225 0.416387
C 4.612894 -0.262815 0.001842
C -3.152266 -3.250844 -0.244998
C -6.074528 -1.202634 1.679257
C -6.912516 0.619635 -1.330613
C 4.836993 -3.337402 -0.009453
C 5.869130 1.688645 2.037006
C 6.756407 0.122622 -1.065249
H -0.359450 -1.208381 0.271447
H -1.633243 3.541815 -0.723733
H 0.763944 2.904153 -0.610706
H -4.086409 2.894696 -0.651271
H 2.512644 2.364100 0.700805
H 1.576472 -1.625881 -0.823951
H -2.668994 -4.141917 0.183956
H -2.884298 -3.154836 -1.314707
H -4.247028 -3.302429 -0.131437
H -6.829830 -2.000230 1.752868
H -6.558277 -0.209670 1.695203
H -5.347576 -1.288712 2.507784
H -6.530267 0.911067 -2.327522
H -7.938325 0.996213 -1.198335
H -6.884789 -0.478700 -1.219235
H 4.998654 -4.268566 -0.573801
H 4.302548 -3.559277 0.934720
H 5.796328 -2.838334 0.204918
H 5.195566 1.574636 2.907691
H 6.539474 2.547722 2.192917
H 6.452210 0.762627 1.887252
H 6.676707 1.215150 -0.921564
H 6.379591 -0.160280 -2.065238
H 7.800086 -0.206905 -0.946270


