%chk=000020351.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020351

0 1
 O   0.3924000       2.469100      0.2054000    
 N  -0.1262000      0.2211000      0.4539000    
 N   -3.758000      0.9823000     -3.2900002E-02
 N    2.193200     -0.9541000      -1.100900    
 C   -1.499700      0.5982000      0.8290000    
 C   -2.393800      0.6261000     -0.4071000    
 C   0.1292000      -1.188000      0.2801000    
 C   -4.302900      8.1000002E-03  0.9140000    
 C   -4.611000       1.069700      -1.219100    
 C   0.7640000       1.291000      0.2674000    
 C    1.152300      -1.704100     -0.5326000    
 C    2.227600       1.111600      0.2259000    
 C    2.858400      0.1332000     -0.5325000    
 C  -0.7720000      -2.118900      0.8571000    
 C   -5.699900      0.4013000       1.363200    
 C   -4.063100       2.076400      -2.216400    
 C    1.215500      -3.102900     -0.7605000    
 C    2.996200       2.103800      0.8679000    
 C    4.264200      0.1764000     -0.6477000    
 C  -0.6829000      -3.494300      0.6331000    
 C   0.3099000      -3.989200     -0.1891000    
 C    4.384900       2.122700      0.7553000    
 C    5.021500       1.160300     -1.3500000E-02
 H   -1.819100      9.2000002E-03   1.683100    
 H   -1.482300       1.616200       1.243900    
 H   -1.956100       1.364800      -1.086900    
 H   -2.370800     -0.3399000     -0.9278000    
 H   -4.317200      -1.006700      0.4971000    
 H   -3.728100     -2.4900001E-02   1.841400    
 H   -4.733400      9.5600002E-02  -1.709300    
 H   -5.608200       1.433100     -0.9503000    
 H    2.723700      -1.442100      -1.816400    
 H   -1.584200      -1.834700       1.515700    
 H   -5.748100       1.452100       1.669100    
 H   -6.454500      0.2198000      0.5918000    
 H   -5.991200     -0.2035000       2.229800    
 H   -3.788600       3.021000      -1.734300    
 H   -3.200600       1.692100      -2.769700    
 H   -4.831700       2.305400      -2.963500    
 H    2.007100      -3.513800      -1.386400    
 H    2.519500       2.883800       1.458300    
 H    4.785300     -0.5857000      -1.225100    
 H   -1.395400      -4.169100       1.098000    
 H   0.3910000      -5.054800     -0.3771000    
 H    4.962500       2.893400       1.256300    
 H    6.102500       1.165500     -0.1133000    


%chk=000020351-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000020351

0 1
O 0.017683 2.259180 0.274472
N -0.237110 -0.013607 0.621538
N -3.797887 0.738585 -0.535114
N 1.847937 -1.412493 -0.899319
C -1.706869 0.253778 0.726591
C -2.350359 0.450958 -0.671746
C 0.254436 -1.314644 0.999990
C -4.689187 -0.330983 -1.050323
C -4.176396 2.110336 -0.959978
C 0.549024 1.098471 0.291006
C 1.195463 -2.027825 0.206217
C 1.990321 0.951988 -0.108851
C 2.538166 -0.178103 -0.785604
C -0.287062 -1.953375 2.146044
C -6.072078 -0.353227 -0.368880
C -3.576333 3.204145 -0.054815
C 1.504743 -3.375160 0.525866
C 2.781352 2.127795 -0.000457
C 3.824414 -0.074934 -1.386260
C 0.027053 -3.291079 2.461960
C 0.910097 -4.016939 1.630517
C 4.070346 2.211029 -0.556214
C 4.582204 1.104899 -1.277986
H -2.191094 -0.600043 1.222721
H -1.876630 1.162292 1.326763
H -1.832319 1.282904 -1.184453
H -2.179550 -0.462067 -1.277972
H -4.822966 -0.260126 -2.160830
H -4.190204 -1.299237 -0.855829
H -3.873472 2.300541 -2.022014
H -5.278785 2.185094 -0.926719
H 2.298361 -2.077560 -1.533749
H -0.968583 -1.392031 2.793367
H -5.953802 -0.456036 0.724165
H -6.645719 0.570626 -0.563979
H -6.672090 -1.203369 -0.744479
H -3.934513 3.078766 0.982800
H -2.471883 3.171608 -0.044644
H -3.882777 4.204994 -0.413078
H 2.227852 -3.915174 -0.098553
H 2.325467 2.992152 0.492264
H 4.233564 -0.940504 -1.923063
H -0.414108 -3.759563 3.347531
H 1.154017 -5.060930 1.852949
H 4.658743 3.127995 -0.453360
H 5.572437 1.157470 -1.744093


