%chk=000052776.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052776

0 1
 O    1.588200       2.516300       1.934300    
 N    2.976900     -0.6992000      0.6652000    
 N    4.341200      -1.850300     -0.6315000    
 C    2.024600       1.608200      0.9124000    
 C    2.519900      0.3195000       1.602700    
 C   0.9158000       1.388400     -6.0500000E-02
 C  -0.2649000      0.7720000      0.3540000    
 C   -1.301500      0.5671000     -0.5565000    
 C    1.059700       1.799800      -1.385700    
 C   -2.526900     -7.1099997E-02 -0.1265000    
 C   -1.157500      0.9787000      -1.881600    
 C   2.3000000E-02   1.595000      -2.296100    
 C    2.206900      -1.669300      0.1099000    
 C    4.245400     -0.8370000      0.2003000    
 C   -3.579800      0.7007000      0.3651000    
 C   -2.655800      -1.457900     -0.2042000    
 C    3.073700      -2.373200     -0.6926000    
 C   -4.761300      8.5900001E-02  0.7794000    
 C   -3.837500      -2.072700      0.2100000    
 C   -4.890100      -1.300800      0.7018000    
 H    2.874500       2.086000      0.4089000    
 H    3.356400      0.5477000       2.275200    
 H    1.744100     -0.1332000       2.232400    
 H  -0.3845000      0.4590000       1.389100    
 H    1.973300       2.280600      -1.724700    
 H   -1.955800      0.8267000      -2.604300    
 H   0.1353000       1.915100      -3.327800    
 H    1.155300      -1.794400      0.3245000    
 H    5.055600     -0.1824000      0.4915000    
 H    2.341900       2.669800       2.529300    
 H   -3.496000       1.782900      0.4323000    
 H   -1.844700      -2.074400     -0.5845000    
 H    2.850200      -3.232400      -1.308000    
 H   -5.581000      0.6867000       1.162200    
 H   -3.937900      -3.152400      0.1498000    
 H   -5.810000      -1.779500       1.024400    


%chk=000052776-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000052776

0 1
O 1.175756 2.217547 2.038649
N 3.458988 -0.437739 0.603021
N 5.222299 -0.962359 -0.731896
C 1.863231 1.508150 0.946479
C 2.638298 0.299405 1.570499
C 0.807152 1.073598 -0.056144
C -0.490895 0.727494 0.383786
C -1.478862 0.266664 -0.526124
C 1.135996 0.958564 -1.427891
C -2.850107 -0.085713 -0.053486
C -1.128291 0.153858 -1.900653
C 0.165588 0.495859 -2.344376
C 3.068619 -1.547219 -0.161995
C 4.764495 -0.122257 0.217004
C -3.452346 0.608570 1.032324
C -3.591639 -1.128417 -0.675435
C 4.163317 -1.856126 -0.972221
C -4.747603 0.272321 1.480315
C -4.887728 -1.464598 -0.230056
C -5.473280 -0.766232 0.851315
H 2.600434 2.172471 0.446894
H 3.306278 0.677948 2.368689
H 1.907730 -0.383897 2.036169
H -0.724785 0.823247 1.448712
H 2.139997 1.224563 -1.779007
H -1.882000 -0.167271 -2.628239
H 0.416458 0.415219 -3.407530
H 2.080871 -1.990851 -0.070178
H 5.329170 0.693653 0.664043
H 1.845436 2.626044 2.643872
H -2.914428 1.436250 1.508283
H -3.139455 -1.699542 -1.494415
H 4.258551 -2.656757 -1.701688
H -5.194605 0.827196 2.312883
H -5.436625 -2.276968 -0.719684
H -6.479317 -1.026773 1.198281


