%chk=000131887.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131887

0 1
 O    2.468400      0.3266000      -1.063900    
 O   -1.753500      -2.702500      0.4363000    
 N  -0.3974000     -0.3255000      0.1372000    
 N   -3.795500      -1.701200      0.1127000    
 N    2.577300      0.6237000       1.180300    
 C   -3.992800      0.6107000     -0.3056000    
 C   -4.580200     -0.5915000     -0.1383000    
 C   -1.756200     -0.3569000      3.5999998E-02
 C   -4.687100       1.908100     -0.6047000    
 C   -2.544600      0.7020000     -0.2069000    
 C   0.3818000      0.8777000     -7.6000001E-03
 C   -2.416300      -1.690900      0.2135000    
 C    1.854800      0.6098000      0.1041000    
 C   -6.053400     -0.8750000     -0.1849000    
 C   -5.055600       2.649600      0.6645000    
 C    3.763200      0.1321000     -0.6759000    
 C    3.826000      0.3148000      0.6975000    
 C    4.847700     -0.1910000      -1.482100    
 C    5.061300      0.1690000       1.344800    
 C    6.072500     -0.3328000     -0.8211000    
 C    6.179800     -0.1570000      0.5640000    
 H   -4.062000       2.549200      -1.239400    
 H   -5.594500       1.730100      -1.193600    
 H   -2.114700       1.691200     -0.3370000    
 H   0.1087000       1.600100      0.7713000    
 H   0.1868000       1.347400     -0.9797000    
 H   7.3700003E-02  -1.203700      0.3308000    
 H   -4.271300      -2.591400      0.2321000    
 H   -6.372200      -1.383200      0.7319000    
 H   -6.288000      -1.522200      -1.036500    
 H   -6.660300      2.9500000E-02 -0.2756000    
 H   -5.570100       3.584400      0.4191000    
 H   -4.167400       2.902200       1.253400    
 H   -5.724800       2.055800       1.296200    
 H    4.754100     -0.3247000      -2.552600    
 H    5.156000      0.3030000       2.417300    
 H    6.960500     -0.5851000      -1.395700    
 H    7.148100     -0.2752000       1.044000    


%chk=000131887-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000131887

0 1
O 2.378183 -0.440353 -0.612547
O -1.616678 -2.650877 -0.395604
N -0.370195 -0.230200 -0.116336
N -3.721112 -1.607916 -0.432304
N 2.794867 1.446526 0.672380
C -4.021641 0.769057 -0.286993
C -4.585800 -0.501146 -0.403042
C -1.748812 -0.234790 -0.209872
C -4.861752 2.036821 -0.206792
C -2.586980 0.884873 -0.191969
C 0.407117 0.998363 -0.068381
C -2.324577 -1.582961 -0.347586
C 1.874553 0.727736 0.057186
C -6.057773 -0.836911 -0.485797
C -5.288052 2.387994 1.243925
C 3.769421 -0.396121 -0.350172
C 4.024958 0.767127 0.429522
C 4.759446 -1.298053 -0.755166
C 5.340699 1.066404 0.836890
C 6.076733 -0.984811 -0.341005
C 6.360612 0.173063 0.438329
H -4.275892 2.879518 -0.621547
H -5.764464 1.954072 -0.840787
H -2.158658 1.890227 -0.104083
H 0.119060 1.630407 0.796077
H 0.227804 1.615963 -0.980751
H 0.087901 -1.141237 -0.224991
H -4.120814 -2.546925 -0.529262
H -6.389826 -1.424286 0.393176
H -6.288024 -1.433743 -1.390413
H -6.672611 0.074388 -0.522913
H -5.864515 3.331296 1.271828
H -4.403173 2.505183 1.895303
H -5.915839 1.587619 1.676647
H 4.532792 -2.185325 -1.351649
H 5.553452 1.955193 1.437280
H 6.896802 -1.651407 -0.627933
H 7.395591 0.372431 0.735251


