%chk=000161891.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161891

0 1
 O    2.253000      -2.214800      0.2768000    
 O   -4.813400     -0.7743000     -4.8599999E-02
 C    3.395500     -0.1261000     -0.2988000    
 C    2.787800       1.300700     -0.4215000    
 C    1.333100       1.110400     -0.1244000    
 C    1.003600     -0.2078000      0.1607000    
 C    2.211700      -1.013400      7.6200001E-02
 C  -0.2827000     -0.6136000      0.4652000    
 C    3.981700     -0.5960000      -1.631300    
 C    4.449800     -0.1870000      0.8079000    
 C   -1.276800      0.3645000      0.4804000    
 C   0.3466000       2.083600     -0.1092000    
 C  -0.9648000       1.704200      0.1953000    
 C   -2.688700     -1.2900000E-02  0.8043000    
 C  -0.6069000      -2.037200      0.7649000    
 C   -2.028200       2.754900      0.2099000    
 C   -3.499000     -0.3948000     -0.4355000    
 C   -5.602200      -1.140400      -1.172400    
 H    2.914400       1.713900      -1.428300    
 H    3.229200       1.996400      0.3008000    
 H    4.375000      -1.616100      -1.553600    
 H    3.220500     -0.6036000      -2.420000    
 H    4.799100      5.7399999E-02  -1.954900    
 H    4.850900      -1.201000      0.9179000    
 H    5.286800      0.4860000      0.5928000    
 H    4.025200      9.8200001E-02   1.777400    
 H   0.5982000       3.116500     -0.3302000    
 H   -3.206900      0.8012000       1.326400    
 H   -2.737100     -0.8104000       1.555900    
 H   -1.655000      -2.306400      0.6215000    
 H  -7.2800003E-02  -2.710400      8.6900003E-02
 H  -0.3289000      -2.276900       1.796200    
 H   -2.412300       2.902500       1.224300    
 H   -1.636400       3.722700     -0.1241000    
 H   -2.850000       2.505800     -0.4667000    
 H   -3.023200      -1.231600     -0.9607000    
 H   -3.556800      0.4473000      -1.134400    
 H   -5.703400     -0.2966000      -1.861900    
 H   -6.597400      -1.421500     -0.8174000    
 H   -5.160900      -1.998600      -1.688400    


%chk=000161891-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161891

0 1
O 2.421825 -2.280679 0.275442
O -4.897658 -0.734376 -0.069362
C 3.461404 -0.106859 -0.320914
C 2.828000 1.316310 -0.420908
C 1.350092 1.126281 -0.113540
C 1.036001 -0.226747 0.181142
C 2.278839 -1.038052 0.083345
C -0.294201 -0.632344 0.499798
C 4.026783 -0.595821 -1.681764
C 4.562258 -0.194185 0.768528
C -1.314142 0.365245 0.511387
C 0.340158 2.101584 -0.092782
C -0.993054 1.733336 0.218969
C -2.757658 -0.025269 0.807149
C -0.602581 -2.082664 0.834131
C -2.060459 2.814768 0.258118
C -3.528539 -0.403317 -0.473431
C -5.725451 -1.140589 -1.202714
H 2.973856 1.755427 -1.426311
H 3.294395 2.016263 0.298822
H 4.340544 -1.651840 -1.602819
H 3.268944 -0.521526 -2.483666
H 4.902090 0.013011 -1.975522
H 4.886454 -1.242428 0.894653
H 5.438660 0.415607 0.480163
H 4.193371 0.170437 1.745074
H 0.573423 3.150027 -0.313504
H -3.304285 0.799632 1.296347
H -2.804357 -0.887368 1.494287
H -1.446044 -2.470058 0.234285
H 0.279094 -2.717540 0.662334
H -0.893215 -2.186585 1.897933
H -2.452129 2.957763 1.283734
H -1.653264 3.782084 -0.080720
H -2.927912 2.569612 -0.381519
H -3.053869 -1.275107 -0.976987
H -3.536213 0.442946 -1.197228
H -5.814019 -0.328246 -1.956220
H -6.722213 -1.368935 -0.793721
H -5.316629 -2.044996 -1.702609


