%chk=000031838.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031838

0 1
 O  -0.6616000     -0.8711000      -3.222000    
 N   -1.013600      0.1474000      -1.201100    
 N    1.143800     -0.6427000      -1.945500    
 N   -3.079100      -2.089300       1.860900    
 C   -2.452100     -9.4800003E-02  -1.362700    
 C  -0.6197000       1.215000     -0.3275000    
 C   -3.077200     -0.4769000     -1.9800000E-02
 C   0.6218000       1.272600      0.3257000    
 C    1.599000      0.1676000      0.3502000    
 C    1.895000     -0.6172000     -0.7630000    
 C  -0.1921000     -0.4447000      -2.153000    
 C   -2.455800      -1.734600      0.5916000    
 C   -1.530100       2.288200     -0.1409000    
 C   0.9312000       2.456100       1.051200    
 C    2.362300     -6.9499999E-02   1.521300    
 C    3.002900      -1.491600     -0.7430000    
 C   -1.212000       3.418100      0.6099000    
 C   3.3500001E-02   3.511200       1.194900    
 C    3.425300     -0.9740000       1.554000    
 C    3.763200      -1.670400      0.4076000    
 C   -2.484700      -3.299300       2.411300    
 H   -2.942000      0.7599000      -1.839600    
 H   -2.619000     -0.9366000      -2.046200    
 H   -3.029300      0.3390000      0.7081000    
 H   -4.146900     -0.6577000     -0.1902000    
 H   -1.384700      -1.573700      0.7580000    
 H   -2.558500      -2.563300     -0.1202000    
 H    1.598700      -1.120200      -2.721200    
 H   -2.504600       2.313300     -0.6196000    
 H    1.901800       2.571200       1.532800    
 H    2.146600      0.4728000       2.441100    
 H    3.255700      -2.080800      -1.623100    
 H   -1.929000       4.226900      0.7114000    
 H   0.3100000       4.391200       1.766600    
 H   -4.078400      -2.236100       1.721800    
 H    3.993000      -1.114400       2.468700    
 H    4.596700      -2.365600      0.4114000    
 H   -2.622500      -4.155500       1.742900    
 H   -2.963500      -3.538100       3.366100    
 H   -1.415700      -3.164000       2.605100    


%chk=000031838-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000031838

0 1
O -0.610393 -0.760577 -3.390088
N -0.993809 0.198271 -1.277837
N 1.229864 -0.237313 -2.072143
N -2.999334 -2.151087 1.896446
C -2.435746 -0.172837 -1.377367
C -0.614388 1.305283 -0.430099
C -3.038239 -0.565205 -0.012911
C 0.565381 1.279790 0.371788
C 1.517654 0.139632 0.371557
C 1.864946 -0.542476 -0.829342
C -0.162610 -0.284187 -2.304269
C -2.330539 -1.769911 0.636454
C -1.475510 2.432597 -0.372375
C 0.842424 2.406010 1.196565
C 2.182659 -0.241770 1.569321
C 2.889311 -1.524731 -0.824614
C -1.189568 3.528079 0.464751
C -0.019080 3.517452 1.256748
C 3.190631 -1.226222 1.579296
C 3.559802 -1.858411 0.368499
C -2.325654 -3.224752 2.649912
H -3.023261 0.644714 -1.839213
H -2.483258 -1.018838 -2.083181
H -3.018849 0.282918 0.695542
H -4.106911 -0.810843 -0.186815
H -1.285075 -1.496205 0.876196
H -2.275944 -2.611027 -0.103572
H 1.743953 -0.518585 -2.911983
H -2.375617 2.454994 -0.993526
H 1.767328 2.408504 1.783548
H 1.892751 0.243569 2.507967
H 3.146627 -2.034428 -1.761124
H -1.870231 4.385922 0.488677
H 0.223834 4.367670 1.902486
H -3.997715 -2.351442 1.747946
H 3.683222 -1.498456 2.518425
H 4.348550 -2.618265 0.356154
H -2.185157 -4.175361 2.077757
H -2.900390 -3.455808 3.564593
H -1.323260 -2.878266 2.963832


