%chk=000101787.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101787

0 1
 O   0.4862000       2.720500     -4.6999999E-03
 O    4.904700      0.5492000       2.185500    
 O   -5.498300      5.0299998E-02 -0.4566000    
 C   0.7704000      0.2772000     -0.1168000    
 C  -1.0000000E-03  -1.057200     -0.3740000    
 C   -1.338600      -1.015500      0.3745000    
 C   -2.249500      0.1407000     -8.4200002E-02
 C    2.206200      0.2919000     -0.7970000    
 C    2.989400      -1.047300     -0.5325000    
 C  -0.1336000       1.514100     -0.4424000    
 C   -1.521900       1.450800      0.2277000    
 C   0.8327000      -2.262400      6.4099997E-02
 C   -3.482300     -0.1422000      0.8026000    
 C   -2.260600      -2.230200      0.3210000    
 C    2.142300      -2.312200     -0.7003000    
 C    3.040100       1.494600     -0.2355000    
 C   -3.623300      -1.678100      0.7767000    
 C    3.688300      -1.008400      0.8348000    
 C   -2.623400      9.1600001E-02  -1.588500    
 C    2.082700      0.4643000      -2.330900    
 C    4.536000       1.203900     -0.1206000    
 C    4.796300      5.1100001E-02  0.8536000    
 C   -4.733200      0.5540000      0.3643000    
 C   -5.009900       1.899300      0.9792000    
 H   0.9588000      0.3209000      0.9673000    
 H  -0.1928000      -1.164700      -1.447200    
 H   -1.096300     -0.8661000       1.440500    
 H    3.791300      -1.139200      -1.280400    
 H  -0.2684000       1.606200      -1.523300    
 H   -1.403600       1.574200       1.313000    
 H   -2.111700       2.316400     -9.6699998E-02
 H   0.2849000      -3.192000     -0.1293000    
 H    1.023300      -2.227400       1.143400    
 H   -3.279800      0.1510000       1.842100    
 H   -1.920800      -3.036100      0.9795000    
 H   -2.329900      -2.637200     -0.6938000    
 H    2.714500      -3.193400     -0.3857000    
 H    1.925900      -2.460800      -1.766000    
 H    2.692800       1.760000      0.7708000    
 H    2.900800       2.386000     -0.8589000    
 H   -4.412700      -2.044700      0.1125000    
 H   -3.864100      -2.043800       1.782000    
 H    2.962600     -0.8221000       1.636200    
 H    4.138100      -1.981900       1.067500    
 H   -1.748200      0.1043000      -2.243300    
 H   -3.198400     -0.8026000      -1.849000    
 H   -3.230000      0.9615000      -1.865800    
 H    3.067400      0.4255000      -2.811100    
 H    1.467300     -0.3182000      -2.784000    
 H    1.644100       1.430400      -2.599700    
 H    4.929500      0.9507000      -1.112300    
 H    5.056300       2.110200      0.2103000    
 H    5.757200     -0.4145000      0.6058000    
 H   0.5733000       2.678500      0.9628000    
 H   -5.015900       1.814600       2.068800    
 H   -4.258200       2.622500      0.6602000    
 H   -5.993600       2.251500      0.6555000    
 H    5.641600       1.183400       2.202800    


%chk=000101787-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000101787

0 1
O 0.460750 2.796277 -0.406173
O 4.776956 0.518644 2.350123
O -5.650925 0.043578 -0.276865
C 0.777253 0.269905 -0.178398
C 0.004661 -1.077920 -0.427448
C -1.332643 -1.042690 0.342405
C -2.276928 0.120165 -0.099157
C 2.226663 0.322960 -0.819454
C 3.017084 -1.022545 -0.548933
C -0.150186 1.460248 -0.588410
C -1.521296 1.445322 0.140040
C 0.860251 -2.295585 -0.019762
C -3.501162 -0.166906 0.869276
C -2.254603 -2.284775 0.348208
C 2.183747 -2.300513 -0.801472
C 3.053598 1.498078 -0.165726
C -3.627908 -1.727100 0.855846
C 3.661471 -1.014200 0.862746
C -2.736431 0.009243 -1.578347
C 2.153659 0.556522 -2.353100
C 4.558430 1.185268 -0.055183
C 4.795408 0.030563 0.949456
C -4.790351 0.562946 0.486985
C -4.994490 1.956531 1.070413
H 0.917349 0.335951 0.927637
H -0.204819 -1.175686 -1.514761
H -1.071273 -0.833473 1.406885
H 3.852906 -1.047385 -1.281612
H -0.324388 1.426921 -1.677404
H -1.345934 1.584590 1.229670
H -2.091142 2.323565 -0.219401
H 0.297717 -3.227341 -0.219897
H 1.054570 -2.268924 1.072562
H -3.194878 0.186721 1.875666
H -1.870588 -3.090169 0.998459
H -2.351367 -2.706665 -0.670370
H 2.791951 -3.187533 -0.534317
H 1.955847 -2.390636 -1.883237
H 2.689117 1.678670 0.867074
H 2.882761 2.427861 -0.733161
H -4.461375 -2.020255 0.194430
H -3.865809 -2.099808 1.868196
H 2.915913 -0.752448 1.637003
H 4.045817 -2.018620 1.120072
H -1.882323 -0.076685 -2.271682
H -3.395593 -0.859577 -1.741817
H -3.310772 0.907008 -1.871566
H 3.172807 0.578863 -2.784605
H 1.592295 -0.241745 -2.874121
H 1.678677 1.524927 -2.587325
H 4.972945 0.910827 -1.045387
H 5.116832 2.084747 0.274425
H 5.780259 -0.441725 0.741046
H 0.765603 2.873081 0.533800
H -5.214350 1.872828 2.153266
H -4.077369 2.566117 0.977948
H -5.838106 2.462178 0.575157
H 5.528710 1.152904 2.474794


