%chk=000017122.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017122

0 1
 O    2.702500      0.6316000     -0.3562000    
 O   -1.935600      0.4290000      0.9734000    
 N   0.9569000     -0.4987000      0.5447000    
 N   -1.832400      0.2910000      -1.286500    
 C   0.7857000       1.939700      8.5000001E-02
 C  -0.5995000       2.075000     -6.8300001E-02
 C    1.426000      0.6538000      0.1198000    
 C   -1.458900      0.9182000     -0.2006000    
 C    3.074500     -0.6747000     -0.2160000    
 C   -2.699200     -0.6329000      0.5813000    
 C    2.004100      -1.363100      0.3355000    
 C   -2.633800     -0.7142000     -0.8018000    
 C    1.576300       3.088100      0.2087000    
 C   -1.185100       3.340900     -9.6900001E-02
 C   0.9906000       4.353800      0.1798000    
 C  -0.3900000       4.480200      2.7000001E-02
 C    4.294800      -1.247000     -0.5531000    
 C   -3.424800      -1.497300       1.391700    
 C    2.136400      -2.737300      0.5814000    
 C   -3.341800      -1.733100      -1.455100    
 C    4.410400      -2.618400     -0.3018000    
 C   -4.125300      -2.508100      0.7245000    
 C    3.354300      -3.350900      0.2540000    
 C   -4.086200      -2.625700     -0.6704000    
 H    2.654400       3.026100      0.3393000    
 H   -2.259900       3.457900     -0.2152000    
 H    1.609100       5.241200      0.2787000    
 H  -0.8458000       5.465700      5.2999998E-03
 H    5.105400     -0.6716000     -0.9824000    
 H   -3.448400      -1.397800       2.469600    
 H    1.324400      -3.314400       1.011400    
 H   -3.318600      -1.833600      -2.535100    
 H    5.341100      -3.126300     -0.5435000    
 H   -4.712800      -3.217800       1.302100    
 H    3.480100      -4.415500      0.4355000    
 H   -4.643200      -3.423800      -1.154900    


%chk=000017122-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000017122

0 1
O 2.767523 0.638105 0.606214
O -1.376967 -0.033277 0.796133
N 1.124578 -0.489324 -0.588881
N -2.608009 0.728316 -1.018034
C 0.789894 1.962000 -0.062797
C -0.619928 2.077843 -0.279706
C 1.471634 0.667107 -0.039943
C -1.546084 0.938409 -0.250081
C 3.203088 -0.689765 0.414979
C -2.437833 -0.934174 0.586662
C 2.192386 -1.378997 -0.316469
C -3.198508 -0.464115 -0.522985
C 1.574241 3.143795 0.031520
C -1.185879 3.362408 -0.483785
C 0.990865 4.414412 -0.135765
C -0.390499 4.524173 -0.420316
C 4.394975 -1.284884 0.844093
C -2.749083 -2.091705 1.309764
C 2.366731 -2.738339 -0.651342
C -4.336034 -1.180391 -0.951198
C 4.556425 -2.649702 0.502836
C -3.892810 -2.800250 0.869835
C 3.562655 -3.360728 -0.230059
C -4.669906 -2.353041 -0.237796
H 2.648973 3.046993 0.209323
H -2.261741 3.429248 -0.672111
H 1.612682 5.312724 -0.062974
H -0.847355 5.507082 -0.575062
H 5.153453 -0.734319 1.406449
H -2.146374 -2.429288 2.156694
H 1.600059 -3.278053 -1.213951
H -4.927891 -0.834243 -1.803138
H 5.469124 -3.170734 0.810920
H -4.186148 -3.716201 1.393810
H 3.733535 -4.415323 -0.470494
H -5.546072 -2.935759 -0.541446


