%chk=000170568.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170568

1 1
 O   -1.454900       1.325600     -1.4400000E-02
 O    3.189900       3.534000      0.2855000    
 N   -1.434200     -0.9444000     -0.1115000    
 N    2.820800       1.204700      2.8800000E-02
 C   -2.748900     -0.5322000     -9.4200000E-02
 C   -2.759800      0.8630000     -3.4400001E-02
 C  -0.7305000      0.1646000     -6.3900001E-02
 C  -0.9588000      -2.295700     -0.1682000    
 C   -3.936400      -1.259600     -0.1256000    
 C   -5.127100     -0.5190000     -9.4200000E-02
 C   -5.120400      0.8839000     -3.4100000E-02
 C   -3.925900       1.616300     -2.4999999E-03
 C   0.6830000      0.1550000     -6.4499997E-02
 C  -0.7757000      -2.875600       1.221300    
 C   -6.422900      -1.266900     -0.1274000    
 C   -6.410200       1.642500     -2.6000000E-03
 C    1.459100       1.257600      1.8999999E-02
 C    3.516300     -7.9200000E-02 -6.4400002E-02
 C    3.617200       2.381400      0.1655000    
 C    3.827900     -0.5373000      -1.309000    
 C    3.803800     -0.7257000       1.099700    
 C    5.118300       2.184500      0.1174000    
 C    4.491200      -1.761100      -1.398100    
 C    4.467200      -1.949500       1.010400    
 C    4.811000      -2.467100     -0.2386000    
 H   -1.688400      -2.904600     -0.7157000    
 H  -3.6400001E-02  -2.373000     -0.7516000    
 H   -3.942200      -2.343000     -0.1692000    
 H   -3.900700       2.698300      4.3699998E-02
 H    1.158100     -0.8158000     -0.1168000    
 H  -3.1900000E-02  -2.308800       1.790000    
 H  -0.4399000      -3.915200       1.159900    
 H   -1.714300      -2.851600       1.784100    
 H   -6.265400      -2.350300     -0.1731000    
 H   -7.008300      -1.065400      0.7755000    
 H   -7.006100     -0.9896000      -1.011500    
 H   -6.997200       1.369700      0.8803000    
 H   -6.243000       2.724400      4.4199999E-02
 H   -6.995600       1.446600     -0.9067000    
 H    1.018200       2.247000      8.8500001E-02
 H    3.579600      1.2000000E-02  -2.211000    
 H    3.536600     -0.3233000       2.071000    
 H    5.608400       3.159300      0.2139000    
 H    5.425500       1.755900     -0.8393000    
 H    5.458600       1.564300      0.9498000    
 H    4.758800      -2.164000      -2.370600    
 H    4.716200      -2.499400       1.913300    
 H    5.327400      -3.420000     -0.3080000    


%chk=000170568-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170568

1 1
O -1.359754 1.090868 0.001685
O 2.720687 3.477388 0.126459
N -1.527713 -1.156084 -0.139281
N 2.869426 1.139552 -0.001076
C -2.858841 -0.651769 -0.096857
C -2.748513 0.750759 -0.016434
C -0.651083 -0.104021 -0.068719
C -1.166611 -2.595196 -0.181241
C -4.122440 -1.265973 -0.131099
C -5.266585 -0.430696 -0.084727
C -5.131715 1.004301 -0.004284
C -3.846819 1.606820 0.030976
C 0.767577 -0.124835 -0.065915
C -1.078801 -3.219460 1.225409
C -6.645946 -1.057337 -0.120402
C -6.365426 1.882041 0.041625
C 1.496143 1.054804 -0.006164
C 3.695632 -0.061453 -0.067776
C 3.472901 2.480012 0.072039
C 4.089302 -0.564632 -1.329107
C 4.084101 -0.706283 1.129126
C 4.980831 2.531833 0.075113
C 4.896067 -1.723549 -1.389117
C 4.890879 -1.864745 1.059026
C 5.298570 -2.371956 -0.197507
H -1.934224 -3.101724 -0.790847
H -0.210693 -2.695051 -0.722622
H -4.238573 -2.352161 -0.189614
H -3.727374 2.691227 0.090666
H 1.268977 -1.094471 -0.109889
H -0.290193 -2.741529 1.831762
H -0.838335 -4.292763 1.135752
H -2.035612 -3.128338 1.766965
H -6.592730 -2.156204 -0.184118
H -7.230564 -0.799866 0.782591
H -7.230110 -0.697256 -0.987748
H -6.999227 1.642744 0.916059
H -6.101972 2.950116 0.099058
H -6.996444 1.737162 -0.855226
H 0.996249 2.030160 0.044188
H 3.775209 -0.052923 -2.245519
H 3.766963 -0.302703 2.097088
H 5.290749 3.584661 0.131899
H 5.403142 2.075028 -0.837276
H 5.402391 1.979605 0.933571
H 5.213644 -2.113918 -2.361271
H 5.204818 -2.364090 1.981211
H 5.930038 -3.264797 -0.247730


