%chk=000127689.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127689

0 1
 O    1.437200      0.8362000     -0.5539000    
 O  -0.4622000     -0.4878000     -0.8426000    
 O    3.808600      -2.465400      3.1399999E-02
 O    4.756800      0.1457000      0.8306000    
 O   0.8889000      -2.653500      0.3791000    
 O    2.269500       3.425000     -0.1520000    
 O   -2.688100       3.574900      0.2706000    
 O   -2.080700      -2.621200      -1.000100    
 C    2.948700      -1.397700      0.4328000    
 C    3.606300     -8.0600001E-02  2.0400001E-02
 C    1.582900      -1.566500     -0.2326000    
 C    2.632300       1.088200      0.1871000    
 C   0.7301000     -0.3071000     -7.9099998E-02
 C    3.225800       2.395700     -0.3278000    
 C   -1.582000      0.1547000     -0.3905000    
 C   -2.721900     -0.5642000     -4.0300000E-02
 C   -1.566800       1.543400     -0.2882000    
 C   -3.854700      0.1102000      0.4153000    
 C   -2.699600       2.217700      0.1676000    
 C   -2.756600      -2.016200     -0.1455000    
 C   -3.843500       1.501000      0.5193000    
 C   -3.630800      -2.832700      0.7985000    
 H    2.857500      -1.467200       1.523800    
 H    3.946800     -0.1533000      -1.019800    
 H    1.705100      -1.824200      -1.291300    
 H    2.364000       1.230600       1.242900    
 H   0.4660000     -0.1642000      0.9794000    
 H    3.461100       2.336500      -1.395700    
 H    4.132500       2.671100      0.2182000    
 H    4.670100      -2.322100      0.4593000    
 H    4.463600      0.2189000       1.754900    
 H   0.7643000      -2.441300       1.319800    
 H    1.476400       3.178500     -0.6575000    
 H  -0.6948000       2.121300     -0.5770000    
 H   -4.765300     -0.4187000      0.6827000    
 H   -4.733300       2.015200      0.8729000    
 H   -4.628400      -2.947400      0.3676000    
 H   -3.691400      -2.357500       1.781300    
 H   -3.178300      -3.819000      0.9390000    
 H   -3.552600       3.872900      0.6021000    


%chk=000127689-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127689

0 1
O 1.347108 0.636796 -0.400990
O -0.406397 -0.818694 0.109118
O 4.065407 -2.300600 0.809628
O 5.090412 0.367471 0.115777
O 1.359939 -2.311080 1.865999
O 2.020541 3.305023 -1.112406
O -2.500008 3.389978 1.275970
O -1.993700 -2.700026 -1.037643
C 3.251470 -1.086169 0.889492
C 3.692494 -0.038069 -0.145434
C 1.792638 -1.543143 0.701676
C 2.711829 1.151262 -0.126412
C 0.853241 -0.332514 0.598675
C 2.963153 2.192993 -1.221253
C -1.551402 -0.026321 0.259360
C -2.816896 -0.651210 -0.012966
C -1.477802 1.319281 0.679978
C -3.980317 0.137417 0.202451
C -2.661851 2.061287 0.864413
C -2.953045 -2.055954 -0.525047
C -3.928977 1.474244 0.633204
C -4.337305 -2.714739 -0.436427
H 3.342585 -0.633656 1.906729
H 3.730301 -0.487006 -1.152853
H 1.713984 -2.132595 -0.233709
H 2.723530 1.649156 0.872323
H 0.742027 0.165339 1.588494
H 2.895257 1.696291 -2.211748
H 3.966878 2.631558 -1.106618
H 5.017871 -2.026352 0.757519
H 5.125609 0.871415 0.971304
H 1.910757 -3.133735 1.904486
H 1.105365 2.930164 -1.194062
H -0.521055 1.820621 0.838163
H -4.960711 -0.309236 0.015396
H -4.851636 2.048893 0.777208
H -5.040169 -2.262883 -1.162573
H -4.781387 -2.621138 0.570742
H -4.222395 -3.779787 -0.689278
H -3.373844 3.845618 1.364013


