%chk=000081675.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081675

0 1
 O    3.982300      -3.042100      0.4760000    
 O    2.014500      -2.232200     -6.3600004E-02
 N   -1.796200      0.9321000      0.4824000    
 N    1.636200      0.1798000     -0.5430000    
 N    3.238000      -2.083400      0.1634000    
 C   0.7722000       1.287200     -0.9049000    
 C  -0.4827000      0.7687000      -1.610000    
 C   0.3891000       2.086700      0.3422000    
 C   -1.443200      6.2700003E-02 -0.6476000    
 C  -0.6014000       1.333800       1.236200    
 C   -2.755800      0.2645000       1.361800    
 C   -4.026400     -8.6999997E-02  0.6431000    
 C    2.988000      0.3176000     -0.2865000    
 C    3.801600     -0.7805000      6.3400000E-02
 C    3.595500       1.587000     -0.3720000    
 C   -5.076300      0.8236000      0.6174000    
 C   -4.140400      -1.319500      1.1000000E-02
 C    5.163400     -0.6152000      0.3168000    
 C    4.957200       1.752100     -0.1186000    
 C   -6.256900      0.4970000     -4.9800001E-02
 C   -5.320900      -1.646200     -0.6565000    
 C    5.741200      0.6511000      0.2258000    
 C   -6.379100     -0.7379000     -0.6868000    
 H    1.274200       1.937400      -1.631100    
 H  -0.2094000      8.1900001E-02  -2.420700    
 H   -1.005600       1.615400      -2.074900    
 H  -7.4900001E-02   3.030000      2.3900000E-02
 H    1.263700       2.361700      0.9411000    
 H   -2.313700     -0.1695000      -1.266600    
 H   -1.011500     -0.8857000     -0.3044000    
 H  -0.1094000      0.4620000       1.687200    
 H  -0.8900000       2.002000       2.057000    
 H   -3.006000      0.9205000       2.206600    
 H   -2.323600     -0.6410000       1.810600    
 H    1.197700     -0.7168000     -0.3849000    
 H    3.043600       2.483800     -0.6356000    
 H   -4.991900       1.789300       1.108300    
 H   -3.331900      -2.044800      3.8600001E-02
 H    5.808600      -1.447000      0.5878000    
 H    5.408100       2.737700     -0.1894000    
 H   -7.080800       1.204200     -7.3899999E-02
 H   -5.417600      -2.609100      -1.149500    
 H    6.801300      0.7804000      0.4230000    
 H   -7.298600     -0.9925000      -1.205800    


%chk=000081675-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000081675

0 1
O 4.224651 -3.016771 0.125420
O 2.143288 -2.243957 -0.385615
N -1.766230 0.687772 0.482098
N 1.724625 0.328801 -0.620809
N 3.416960 -2.034148 -0.108084
C 0.771491 1.430910 -0.859413
C -0.456633 0.882959 -1.626797
C 0.293806 2.089337 0.467161
C -1.336991 -0.026195 -0.745892
C -0.599800 1.135211 1.283477
C -2.727638 -0.106363 1.286709
C -4.080264 -0.281344 0.602599
C 3.052656 0.471023 -0.307270
C 3.914366 -0.669862 -0.061933
C 3.672143 1.766590 -0.215274
C -4.693140 0.806824 -0.069901
C -4.766475 -1.518204 0.668882
C 5.293604 -0.503603 0.240581
C 5.030929 1.909144 0.080924
C -5.968054 0.660611 -0.658946
C -6.045566 -1.666988 0.083494
C 5.858610 0.772895 0.313067
C -6.651222 -0.576846 -0.581768
H 1.268401 2.196293 -1.488527
H -0.126281 0.332000 -2.527265
H -1.065825 1.743288 -1.958943
H -0.285191 2.998209 0.214813
H 1.161707 2.396588 1.080163
H -2.237688 -0.322645 -1.311158
H -0.792597 -0.973988 -0.491322
H 0.013290 0.266275 1.638420
H -0.973741 1.660014 2.182227
H -2.872801 0.436527 2.242771
H -2.316646 -1.113669 1.552978
H 1.403097 -0.653592 -0.658853
H 3.064703 2.658728 -0.386753
H -4.147817 1.755347 -0.132845
H -4.297482 -2.370271 1.177162
H 5.885876 -1.406074 0.412856
H 5.461674 2.915247 0.136281
H -6.430987 1.508965 -1.176439
H -6.563580 -2.631071 0.141514
H 6.919994 0.896106 0.546073
H -7.641020 -0.690273 -1.038367


