%chk=000171181.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000171181

0 1
 O   -1.817900     -0.5819000       1.329500    
 O  -0.6092000     -2.2200000E-02 -0.6277000    
 O   -2.168900       2.240900      -1.002700    
 O   -4.769400       1.044200      -1.092400    
 O   -4.733300     -0.3777000       1.275900    
 O   0.5938000      -2.435400     -0.7247000    
 O    3.285100      -2.788300      -1.349100    
 O    4.436100      -2.137100       1.057500    
 O    1.068400       1.309200      -2.974800    
 O    1.523500       2.709800       1.940100    
 N    2.583800       1.549600      0.2223000    
 C   -2.596400       1.252600     -7.0200004E-02
 C   -3.594900      0.3144000     -0.7477000    
 C   -1.390800      0.4701000      0.4599000    
 C   -3.953500     -0.8541000      0.1763000    
 C   -2.681000      -1.538000      0.6948000    
 C   0.7799000     -8.8799998E-02 -0.2750000    
 C    1.399200      -1.286700      -1.023300    
 C    1.418800       1.272500     -0.5800000    
 C   -2.982200      -2.627000       1.718600    
 C    2.865300      -1.598600     -0.6790000    
 C    3.067500      -1.822700      0.8191000    
 C    1.851800       1.373500      -2.030500    
 C    2.535200       2.247800       1.418900    
 C    3.889200       2.373900       2.064100    
 H   -3.097900       1.777900      0.7517000    
 H   -3.167000     -6.2300000E-02  -1.684900    
 H  -0.7994000       1.168600       1.064500    
 H   -4.585500      -1.570500     -0.3598000    
 H   -2.143100      -1.997100     -0.1434000    
 H   0.8336000     -0.3021000      0.8004000    
 H    1.293200      -1.164700      -2.106700    
 H   0.7085000       2.091000     -0.4192000    
 H   -3.424800      -2.211200       2.630200    
 H   -3.658800      -3.382300       1.307900    
 H   -2.053900      -3.122000       2.024900    
 H    3.531900     -0.8029000      -1.024200    
 H   -1.558200       2.836900     -0.5365000    
 H   -5.389700      0.4203000      -1.506700    
 H   -4.150900      0.1364000       1.860100    
 H    3.484700       1.199600     -9.1399997E-02
 H    2.474600      -2.672000       1.173900    
 H    2.824600     -0.9407000       1.414200    
 H    2.931400       1.499500      -2.223400    
 H   0.9815000      -3.193200      -1.195000    
 H    3.160800      -2.644300      -2.302800    
 H    4.533000      -2.281100       2.014400    
 H    4.211000       1.395300       2.431100    
 H    4.618700       2.750100       1.341100    
 H    3.834400       3.072900       2.903200    


%chk=000171181-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000171181

0 1
O -1.798677 -0.102138 1.369431
O -0.605847 0.226268 -0.710945
O -2.430202 2.268050 -1.449252
O -4.814729 0.593256 -1.493047
O -4.747391 -0.356209 1.149735
O 0.366121 -2.456215 -0.494244
O 2.740442 -2.987123 -1.874750
O 4.169006 -1.160289 0.775847
O 2.205924 0.811402 -2.761750
O 1.813539 3.130321 1.654447
N 2.730697 1.258514 0.615069
C -2.742480 1.312986 -0.397023
C -3.540146 0.107534 -0.940490
C -1.450668 0.845046 0.291842
C -3.789255 -0.933605 0.174886
C -2.461152 -1.347603 0.839578
C 0.761515 -0.093336 -0.232267
C 1.161493 -1.338700 -1.042500
C 1.631624 1.190001 -0.364302
C -2.612820 -2.288418 2.032215
C 2.649597 -1.769091 -1.024115
C 3.190041 -2.195622 0.350800
C 2.205015 1.541319 -1.741571
C 2.717959 2.239324 1.600026
C 3.856919 2.168784 2.609257
H -3.357451 1.805801 0.390582
H -2.995696 -0.344088 -1.786307
H -0.938090 1.672768 0.818120
H -4.310577 -1.812068 -0.243035
H -1.788255 -1.790697 0.081338
H 0.711894 -0.363038 0.843085
H 0.880607 -1.150967 -2.097004
H 0.978439 2.050300 -0.093891
H -3.252538 -1.851224 2.817980
H -3.071232 -3.240031 1.707606
H -1.621147 -2.507372 2.461460
H 3.299332 -0.978318 -1.438958
H -3.258827 2.372145 -1.988162
H -5.434274 0.671043 -0.715399
H -4.216888 0.166020 1.808862
H 3.415685 0.478447 0.660500
H 3.698754 -3.168286 0.229786
H 2.376419 -2.288332 1.094579
H 2.677157 2.554406 -1.758671
H 0.668843 -3.267975 -0.984320
H 2.660871 -2.716371 -2.825319
H 4.658316 -1.470781 1.575842
H 3.437577 2.013433 3.618666
H 4.580450 1.366514 2.386316
H 4.386903 3.136313 2.622964


