%chk=000053739.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053739

0 1
 O   -3.277600      0.1056000       1.270800    
 N   -1.247200     -0.1639000      0.2619000    
 N   -3.277300     -0.1105000      -1.001600    
 C    1.097700     -0.4452000     -0.4111000    
 C    1.909800      0.6762000     -0.2416000    
 C  -0.3204000     -0.3090000     -0.8607000    
 C    3.230900      0.5233000      0.1791000    
 C    1.606800      -1.719300     -0.1599000    
 C   -2.596300     -6.6100001E-02  0.1014000    
 C    1.364000       2.042500     -0.5111000    
 C    3.740100     -0.7509000      0.4302000    
 C   -4.605900      0.4105000      0.8775000    
 C   -4.673800     -2.8800000E-02 -0.5640000    
 C    2.928100      -1.872100      0.2607000    
 C    4.121300       1.707800      0.3683000    
 H  -0.4431000      0.5245000      -1.561800    
 H  -0.6013000      -1.202800      -1.433700    
 H  -0.8544000     -0.1043000       1.197200    
 H   0.9854000      -2.602300     -0.2850000    
 H   -4.768200       1.487800      0.9886000    
 H   -5.322700     -0.1238000       1.507600    
 H   -5.140500      -1.015800     -0.6561000    
 H   -5.246100      0.6770000      -1.173400    
 H   0.3542000       2.156600     -0.1030000    
 H    1.941700       2.845900     -4.6900000E-02
 H    1.337700       2.229500      -1.589700    
 H    4.766700     -0.8881000      0.7596000    
 H    3.324000      -2.864200      0.4571000    
 H    4.164000       2.315600     -0.5416000    
 H    3.778000       2.318800       1.209400    
 H    5.150900       1.404500      0.5899000    


%chk=000053739-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053739

0 1
O -3.204919 -0.043297 1.322921
N -1.257963 -0.932312 0.374608
N -2.758227 0.421287 -0.938563
C 1.139392 -0.936362 -0.351886
C 1.613617 0.405704 -0.240990
C -0.310158 -1.256942 -0.709371
C 2.982413 0.632369 0.104792
C 2.025375 -2.020707 -0.128894
C -2.379257 -0.176651 0.166423
C 0.701967 1.599912 -0.473856
C 3.844323 -0.469839 0.328388
C -4.317916 0.861905 0.892250
C -4.061333 1.089551 -0.641175
C 3.374986 -1.795232 0.210883
C 3.525840 2.045741 0.229920
H -0.654238 -0.696337 -1.595568
H -0.388645 -2.334582 -0.955875
H -1.077889 -1.270578 1.318843
H 1.649315 -3.047166 -0.225512
H -4.242698 1.787042 1.488881
H -5.266245 0.345648 1.112670
H -4.862303 0.643718 -1.260230
H -4.001031 2.164577 -0.889057
H -0.279978 1.323395 -0.887841
H 0.515792 2.143691 0.473871
H 1.169612 2.325767 -1.165749
H 4.891837 -0.283062 0.594562
H 4.052393 -2.639125 0.381708
H 3.475574 2.588770 -0.733965
H 2.947306 2.644196 0.959250
H 4.579556 2.037920 0.556665


