%chk=000019496.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019496

0 1
 O    4.819400       1.097200     -0.5453000    
 O    4.819400      -1.098000     -0.5439000    
 N    4.231100     -1.9999999E-04 -0.3905000    
 N   -1.193400      1.3000000E-03   1.033100    
 N   -1.905700      7.9999998E-04  4.1000000E-03
 N   -4.348700       2.202300     -0.6780000    
 N   -4.345500      -2.204200     -0.6780000    
 C    2.857600       0.000000     -3.0400001E-02
 C   0.1593000      8.9999998E-04  0.6782000    
 C    2.183000       1.208200      0.1461000    
 C    2.182800      -1.207900      0.1475000    
 C   0.8340000       1.208700      0.5004000    
 C   0.8336000      -1.207400      0.5017000    
 C   -3.332000     -3.0000001E-04  0.3267000    
 C   -3.898300       1.228300     -0.2358000    
 C   -3.896600      -1.229600     -0.2358000    
 H    2.676300       2.168100      1.6200000E-02
 H    2.675900      -2.168100      1.8700000E-02
 H   0.3169000       2.155100      0.6364000    
 H   0.3162000      -2.153500      0.6388000    
 H   -3.502200     -3.9999999E-04   1.411900    


%chk=000019496-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000019496

0 1
O 5.007823 1.140955 -0.324754
O 5.006135 -1.141773 -0.329722
N 4.412480 -0.000184 -0.229198
N -1.204638 0.001855 0.810973
N -2.020663 -0.002516 -0.181018
N -4.650272 2.234890 -0.512956
N -4.650827 -2.242456 -0.491488
C 2.948251 0.000374 0.014133
C 0.201833 0.001451 0.466805
C 2.275118 1.236068 0.128715
C 2.273285 -1.234787 0.123344
C 0.887722 1.236155 0.362587
C 0.885836 -1.233817 0.356972
C -3.485176 0.000192 0.357464
C -4.144581 1.224442 -0.135706
C -4.144678 -1.228610 -0.124097
H 2.838411 2.167529 0.029826
H 2.835192 -2.166646 0.020402
H 0.340860 2.178602 0.460994
H 0.337522 -2.175870 0.451002
H -3.466534 0.005445 1.467820


