%chk=000156308.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000156308

1 1
 O    4.384300       1.383900     -0.3113000    
 O   -5.010100      -2.182400     -0.3688000    
 O   -6.211900     -0.1467000      9.3099996E-02
 O    5.838700     -0.9487000     -0.1410000    
 N   9.6400000E-02   1.353100      0.3211000    
 C  -0.5748000      0.1037000     -0.3205000    
 C  -0.6525000       2.597700     -0.1758000    
 C    1.552500       1.436100     -0.1906000    
 C   0.1742000      -1.163500      0.1514000    
 C   -2.090500      6.5600000E-02 -0.1634000    
 C   -2.104600       2.584300      0.2826000    
 C   0.1054000       1.323100       1.857700    
 C    2.333900      0.1560000     -7.9400003E-02
 C   -2.810400       1.267600      7.6600000E-02
 C    1.678600      -1.078200      5.0900001E-02
 C   -2.805600      -1.134000     -0.3401000    
 C    3.733300      0.1938000     -0.1549000    
 C   -4.213400       1.249300      0.1867000    
 C    2.439400      -2.253500      0.1414000    
 C   -4.182000      -1.110500     -0.2331000    
 C   -4.867300      4.8300002E-02  2.6300000E-02
 C    4.478300     -0.9819000     -7.3899999E-02
 C    3.831700      -2.205100      7.7000000E-02
 C   -6.295700      -1.564800     -0.1547000    
 C    4.627200       1.815300      -1.647300    
 C    6.544900     -0.8083000       1.090100    
 H  -0.3953000      0.2174000      -1.400600    
 H  -0.5947000       2.594000      -1.271500    
 H  -0.1257000       3.482700      0.1991000    
 H    2.027300       2.246900      0.3745000    
 H    1.498100       1.721800      -1.247800    
 H  -0.1419000      -2.013400     -0.4660000    
 H  -9.6100003E-02  -1.404100       1.187600    
 H   -2.639000       3.371000     -0.2649000    
 H   -2.163200       2.845800       1.346200    
 H   0.4220000       2.307800       2.214400    
 H  -0.8961000       1.085800       2.222700    
 H   0.8108000      0.5648000       2.205000    
 H   -2.307800      -2.070400     -0.5645000    
 H   -4.769600       2.158700      0.3916000    
 H    1.947900      -3.215800      0.2622000    
 H    4.404200      -3.126200      0.1440000    
 H   -6.776800      -2.044100      0.7056000    
 H   -6.916700      -1.730100      -1.042700    
 H    3.698000       1.870800      -2.222100    
 H    5.331300       1.139800      -2.143300    
 H    5.072200       2.813400      -1.608500    
 H    7.615800     -0.7881000      0.8702000    
 H    6.338700      -1.657500       1.749200    
 H    6.272000      0.1282000       1.586800    


%chk=000156308-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000156308

1 1
O 4.244892 1.451267 -0.331128
O -5.146874 -2.181084 -0.268653
O -6.313500 -0.157521 0.301470
O 5.847853 -1.016054 -0.083951
N 0.065897 1.303771 0.222698
C -0.641713 0.082775 -0.448019
C -0.687384 2.577977 -0.199404
C 1.496519 1.407259 -0.327531
C 0.074807 -1.220404 -0.035576
C -2.150521 0.096462 -0.171260
C -2.105685 2.608237 0.367189
C 0.106576 1.179038 1.740813
C 2.257571 0.103287 -0.201551
C -2.846402 1.293671 0.156917
C 1.594919 -1.143993 -0.100878
C -2.868935 -1.130279 -0.333014
C 3.675890 0.167477 -0.229633
C -4.259667 1.289008 0.345228
C 2.367857 -2.328398 -0.032338
C -4.248895 -1.105483 -0.155231
C -4.936445 0.083693 0.180494
C 4.441555 -1.025025 -0.093526
C 3.774482 -2.268657 -0.025819
C -6.500101 -1.613071 0.015236
C 5.246404 1.658789 -1.415344
C 6.470277 -0.372298 1.103136
H -0.454052 0.259152 -1.527880
H -0.702980 2.568633 -1.303280
H -0.085594 3.438385 0.140457
H 2.009572 2.216183 0.218880
H 1.402837 1.726074 -1.382905
H -0.268141 -2.017005 -0.719318
H -0.260280 -1.526483 0.975040
H -2.644534 3.433085 -0.134966
H -2.088559 2.873867 1.442403
H 0.398781 2.152877 2.163259
H -0.885346 0.884697 2.110934
H 0.853499 0.421356 2.015359
H -2.375151 -2.067471 -0.595894
H -4.796532 2.205826 0.604232
H 1.867671 -3.300981 0.030769
H 4.383471 -3.174912 0.043483
H -6.914587 -2.103397 0.910325
H -7.131419 -1.723854 -0.880703
H 4.749361 1.582004 -2.399442
H 6.058396 0.917046 -1.348559
H 5.628841 2.677623 -1.259502
H 7.553420 -0.419162 0.921183
H 6.216319 -0.942216 2.015288
H 6.141028 0.677629 1.207813


