%chk=000031156.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031156

0 1
 O    1.442900       2.913500      0.7409000    
 N   0.1266000       1.053500      0.1284000    
 N  -0.5867000       3.293700     -0.1705000    
 C   -1.387800     -0.7394000       1.015600    
 C   -1.266700      0.5435000      0.1804000    
 C   -2.849200      -1.213400       1.070400    
 C   -1.871700      0.3811000      -1.224900    
 C  -0.4630000      -1.828100      0.4770000    
 C   -3.497100      -1.337300     -0.3098000    
 C   -3.328900     -6.9899999E-02  -1.143400    
 C   0.9136000      -1.303500      0.1690000    
 C    1.181100      6.9899999E-02 -1.3100000E-02
 C   0.4111000       2.436500      0.2617000    
 C    1.942000      -2.253600      1.6600000E-02
 C    2.492200      0.4342000     -0.3732000    
 C    3.234300      -1.862600     -0.3121000    
 C    3.507200     -0.5181000     -0.5129000    
 H   -1.067700     -0.5089000       2.042100    
 H   -1.860900       1.304500      0.7050000    
 H   -3.428700     -0.4938000       1.663200    
 H   -2.916200      -2.173700       1.595100    
 H   -1.296300     -0.3465000      -1.810100    
 H   -1.819000       1.318400      -1.788400    
 H  -0.8587000      -2.276300     -0.4411000    
 H  -0.3952000      -2.630100       1.223200    
 H   -4.564700      -1.556000     -0.1912000    
 H   -3.066800      -2.188200     -0.8501000    
 H   -3.718900     -0.2401000      -2.153300    
 H   -3.931000      0.7344000     -0.7028000    
 H    1.731200      -3.312300      0.1514000    
 H    2.758600       1.465700     -0.5839000    
 H    4.018600      -2.604300     -0.4257000    
 H    4.509000     -0.2026000     -0.7904000    
 H  -0.4650000       4.298600     -9.7700000E-02
 H   -1.453800       2.981600     -0.5889000    


%chk=000031156-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000031156

0 1
O 1.524637 2.908934 0.622991
N 0.143685 1.040778 0.115939
N -0.674290 3.278896 0.024561
C -1.401305 -0.709115 1.025333
C -1.267101 0.551194 0.130585
C -2.889349 -1.142945 1.089037
C -1.839733 0.311537 -1.291026
C -0.471131 -1.828291 0.522739
C -3.521822 -1.348063 -0.310681
C -3.329441 -0.102431 -1.208726
C 0.916950 -1.319602 0.161186
C 1.200459 0.068967 -0.019475
C 0.406705 2.423653 0.270975
C 1.956870 -2.263170 -0.022281
C 2.522343 0.460279 -0.379815
C 3.261989 -1.875714 -0.379841
C 3.534989 -0.500168 -0.557542
H -1.070360 -0.418954 2.042556
H -1.871575 1.335687 0.623019
H -3.466051 -0.365624 1.631562
H -2.976776 -2.072700 1.684508
H -1.251551 -0.473834 -1.802390
H -1.726283 1.226996 -1.905042
H -0.916909 -2.329043 -0.360146
H -0.386418 -2.610566 1.301226
H -4.599849 -1.572732 -0.200767
H -3.069492 -2.228941 -0.807158
H -3.726773 -0.295671 -2.223054
H -3.920027 0.740212 -0.790828
H 1.724411 -3.325786 0.125077
H 2.755495 1.519281 -0.490387
H 4.048980 -2.625363 -0.512927
H 4.541989 -0.167388 -0.832522
H -0.480463 4.266817 0.172151
H -1.508400 3.013270 -0.492339


