%chk=000045384.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045384

0 1
 O    1.376900      -1.366900     -8.2099997E-02
 N  -0.6293000      -4.457800     -0.1685000    
 C    1.298500     -0.1297000      0.6126000    
 C  -5.0999999E-02  0.5361000      0.4248000    
 C    2.456300      0.7633000      0.2176000    
 C   -2.511200       1.750000      8.1600003E-02
 C   0.3026000      -2.229900      0.2666000    
 C   -3.837800       2.405600     -0.1033000    
 C  -0.8817000      0.6940000       1.518800    
 C  -0.4171000      0.9689000     -0.8362000    
 C   0.4480000      -3.529300     -0.5094000    
 C   -2.122800       1.306200       1.345500    
 C   -1.658400       1.581400      -1.009300    
 C   -4.943700       1.395500     -0.4399000    
 C    2.994700      0.6478000      -1.051600    
 C    2.949500       1.673500       1.135400    
 C   -6.299400       2.066600     -0.5932000    
 C    4.061200       1.470100      -1.415000    
 C    4.015900       2.495800      0.7719000    
 C  -0.6284000      -4.736400       1.267200    
 C  -0.4946000      -5.698800     -0.9302000    
 C    4.571800       2.394000     -0.5032000    
 H    1.442600     -0.3704000       1.676200    
 H   0.3562000      -2.391800       1.347500    
 H  -0.6700000      -1.797600      1.0400000E-02
 H   -3.771300       3.160700     -0.8973000    
 H   -4.105400       2.959300      0.8060000    
 H  -0.5907000      0.3515000       2.507300    
 H   0.2226000      0.8333000      -1.701900    
 H    1.437500      -3.965400     -0.3160000    
 H   0.4232000      -3.298100      -1.582300    
 H   -2.779000       1.429800       2.203000    
 H   -1.951700       1.918100      -2.000200    
 H   -5.009500      0.6352000      0.3480000    
 H   -4.697500      0.8670000      -1.368900    
 H    2.612000     -5.8899999E-02  -1.781700    
 H    2.522600       1.761300       2.130300    
 H   -6.593500       2.571100      0.3327000    
 H   -6.280200       2.808200      -1.398000    
 H   -7.065800       1.323200     -0.8336000    
 H    4.493300       1.392200      -2.408500    
 H    4.413100       3.215600       1.481600    
 H   -1.319900      -5.556900       1.496100    
 H   0.3610000      -5.026200       1.639500    
 H   -1.002900      -3.888200       1.848500    
 H   -1.332900      -6.372900     -0.7212000    
 H   0.4383000      -6.226500     -0.7008000    
 H  -0.5198000      -5.494700      -2.006500    
 H    5.401800       3.034600     -0.7864000    


%chk=000045384-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045384

0 1
O 1.227129 -1.353084 -0.135018
N -0.413423 -4.717174 -0.066067
C 1.214820 -0.092636 0.635233
C -0.119098 0.641995 0.490807
C 2.422230 0.732353 0.178069
C -2.640202 1.971402 0.204246
C 0.266045 -2.348889 0.361214
C -3.996133 2.639098 0.033981
C -0.983007 0.799820 1.599005
C -0.526988 1.152994 -0.767614
C 0.538247 -3.639364 -0.425694
C -2.225755 1.459565 1.458876
C -1.768195 1.804413 -0.906228
C -5.089969 1.652195 -0.465215
C 3.413733 0.182154 -0.668969
C 2.574967 2.062474 0.646212
C -6.460055 2.336751 -0.653996
C 4.538795 0.952809 -1.044161
C 3.702215 2.828337 0.278170
C -0.141824 -5.315894 1.257102
C -0.519311 -5.748249 -1.118326
C 4.690246 2.275699 -0.570727
H 1.347885 -0.346985 1.714273
H 0.415696 -2.491517 1.454405
H -0.776306 -2.015978 0.190725
H -3.920058 3.474257 -0.690684
H -4.328380 3.078454 0.995109
H -0.681586 0.408250 2.579595
H 0.138919 1.036905 -1.630299
H 1.605133 -3.942217 -0.275283
H 0.414846 -3.407042 -1.499234
H -2.880271 1.579481 2.331259
H -2.067426 2.199750 -1.885384
H -5.179987 0.817995 0.258056
H -4.758760 1.200156 -1.420756
H 3.289259 -0.842946 -1.027143
H 1.803400 2.502216 1.289749
H -6.819302 2.777509 0.295236
H -6.398405 3.151791 -1.399762
H -7.223297 1.617102 -1.002314
H 5.298134 0.517954 -1.704537
H 3.807536 3.854735 0.647907
H -0.921432 -6.063048 1.490211
H 0.854822 -5.825660 1.311374
H -0.172626 -4.544023 2.045004
H -1.302573 -6.477757 -0.843333
H 0.432231 -6.314907 -1.287326
H -0.812075 -5.278085 -2.073648
H 5.564256 2.870345 -0.860203


