%chk=000040506.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040506

0 1
 O    3.625200     -0.9124000     -0.1067000    
 N    3.125800       1.648700      0.3300000    
 C   1.1800000E-02 -0.1976000     -0.1040000    
 C    1.401000     -1.5300000E-02 -0.2055000    
 C  -0.4959000      -1.479500      0.2014000    
 C    1.990000       1.325500     -0.5297000    
 C  -0.8829000      0.8678000     -0.2999000    
 C   -2.272100      0.6846000     -0.1985000    
 C    2.276500      -1.083300     -8.3999997E-03
 C   -2.779900     -0.5973000      0.1071000    
 C   -1.885100      -1.662500      0.3030000    
 C   0.3993000      -2.544200      0.3968000    
 C    1.776200      -2.346200      0.2924000    
 C   -3.167300       1.749200     -0.3944000    
 C   -4.169000     -0.7796000      0.2083000    
 C    2.715300       1.674100       1.734000    
 C    3.709900       2.934100     -5.3599998E-02
 C   -4.544300       1.551200     -0.2904000    
 C   -5.044500      0.2883000      1.0700000E-02
 C    4.210200      -1.105400      -1.392700    
 H    2.308000       1.297500      -1.580200    
 H    1.288900       2.156200     -0.4555000    
 H  -0.5575000       1.869800     -0.5554000    
 H   -2.277100      -2.652000      0.5387000    
 H   3.0400001E-02  -3.540200      0.6331000    
 H    2.451300      -3.183400      0.4482000    
 H   -2.799800       2.745700     -0.6307000    
 H   -4.582300      -1.758500      0.4427000    
 H    2.398300      0.6955000       2.107400    
 H    1.905700       2.391300       1.914600    
 H    3.562600       1.963900       2.367300    
 H    4.596100       3.149400      0.5539000    
 H    3.003700       3.764400      6.1700001E-02
 H    4.045600       2.908100      -1.096400    
 H   -5.225300       2.383100     -0.4443000    
 H   -6.116400      0.1333000      9.1899998E-02
 H    3.691800     -0.5261000      -2.162500    
 H    4.193500      -2.167900      -1.654900    
 H    5.251100     -0.7737000      -1.348000    


%chk=000040506-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040506

0 1
O 3.583707 -1.250305 -1.219993
N 2.884717 1.785446 0.027304
C 0.045289 -0.287030 -0.382747
C 1.452509 -0.153895 -0.729153
C -0.497407 -1.614802 -0.082978
C 2.097467 1.176471 -1.089580
C -0.841702 0.819904 -0.316282
C -2.209421 0.676281 0.026239
C 2.237974 -1.313885 -0.782863
C -2.740468 -0.649125 0.322232
C -1.864436 -1.758348 0.258198
C 0.371040 -2.761218 -0.146748
C 1.706613 -2.615904 -0.489933
C -3.101560 1.806970 0.092125
C -4.133144 -0.782130 0.667922
C 2.055593 2.179870 1.185108
C 3.714959 2.907087 -0.461719
C -4.441418 1.642146 0.429668
C -4.963883 0.332785 0.721050
C 4.578536 -1.081885 -0.134783
H 2.814877 0.988779 -1.908506
H 1.334092 1.894557 -1.477016
H -0.471341 1.826975 -0.533458
H -2.252649 -2.761298 0.477344
H -0.045144 -3.751920 0.070211
H 2.378481 -3.476505 -0.571929
H -2.704442 2.804758 -0.130579
H -4.528176 -1.780984 0.889455
H 1.488471 1.310308 1.555852
H 1.324346 2.993688 0.944665
H 2.709747 2.540473 1.999302
H 4.338941 3.293920 0.363944
H 3.113440 3.761148 -0.865827
H 4.385800 2.552185 -1.264562
H -5.109446 2.509315 0.475854
H -6.021464 0.222378 0.984875
H 4.396368 -0.119512 0.380065
H 5.560839 -1.084156 -0.632761
H 4.521095 -1.925944 0.581506


