%chk=000060028.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060028

0 1
 O  -0.4953000      0.9742000       1.843700    
 N   -2.571700     -0.2458000      0.2585000    
 N    4.096200      -1.865700     -0.7053000    
 C   -3.541300     -0.1401000     -0.8312000    
 C   -1.213700     -4.1099999E-02 -0.2440000    
 C  -0.1983000     -5.8899999E-02  0.9052000    
 C    1.212600      0.1515000      0.4013000    
 C   -3.422500       1.218900      -1.515200    
 C   -4.948000     -0.3560000     -0.2819000    
 C   -2.682400      -1.547000      0.9168000    
 C    1.989200     -0.9499000      8.5900001E-02
 C    1.696100       1.441500      0.2660000    
 C    3.289800     -0.7554000     -0.3792000    
 C    2.996400       1.636100     -0.1990000    
 C    3.793300      0.5377000     -0.5218000    
 H  -0.9498000     -0.7912000      -1.001500    
 H   -1.118600      0.9458000     -0.7084000    
 H   -3.358900     -0.9119000      -1.591900    
 H  -0.1908000      -1.000900       1.460700    
 H   -4.284900       1.394400      -2.169300    
 H   -3.397400       2.040700     -0.7903000    
 H   -2.542400       1.288600      -2.162300    
 H   -5.157000      -1.407000     -5.8100000E-02
 H   -5.697600     -5.9099998E-02  -1.025200    
 H   -5.134300      0.2437000      0.6166000    
 H   -3.672600      -1.714500       1.350800    
 H   -2.032900      -1.632900       1.791600    
 H   -2.458600      -2.377600      0.2371000    
 H    1.593100      -1.956400      0.1950000    
 H    1.090000       2.312500      0.4970000    
 H   -1.409900      0.8393000       2.145300    
 H    3.387600       2.642900     -0.3132000    
 H    4.804800      0.7026000     -0.8839000    
 H    3.731800      -2.803600     -0.6030000    
 H    5.039000      -1.724900      -1.043100    


%chk=000060028-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060028

0 1
O -0.771125 0.967300 1.581414
N -2.543648 -0.514000 0.240387
N 4.325216 -1.712368 -0.595288
C -3.501268 -0.009240 -0.807481
C -1.132683 -0.616516 -0.232786
C -0.170021 -0.191313 0.930718
C 1.218493 0.131264 0.398276
C -3.221187 1.480443 -1.115982
C -4.971260 -0.163475 -0.360911
C -2.954430 -1.758765 0.936303
C 2.136867 -0.920451 0.179998
C 1.574448 1.462078 0.070121
C 3.420587 -0.666289 -0.380726
C 2.850060 1.718220 -0.481176
C 3.768843 0.674394 -0.714322
H -0.878793 -1.638412 -0.591795
H -0.978408 0.081646 -1.070863
H -3.364962 -0.600732 -1.747251
H -0.092974 -1.033858 1.656293
H -3.878006 1.823652 -1.936116
H -3.425158 2.096240 -0.221071
H -2.178188 1.668211 -1.421851
H -5.282279 -1.218488 -0.271571
H -5.629285 0.314920 -1.107993
H -5.137262 0.338895 0.610343
H -3.892582 -1.607530 1.492559
H -2.174292 -2.027404 1.669686
H -3.085709 -2.621650 0.241052
H 1.865933 -1.949077 0.457811
H 0.865753 2.266377 0.283851
H -1.760068 0.812309 1.423217
H 3.138546 2.747003 -0.728051
H 4.756748 0.890328 -1.140664
H 4.091883 -2.665234 -0.334011
H 5.251210 -1.527979 -0.968420


