%chk=000031099.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031099

0 1
 O    2.493900     -0.2864000      0.8446000    
 O    2.505600      0.9842000      -1.102600    
 N   -3.990700       1.100000     -0.1469000    
 N   -2.304500     -0.4457000      0.6137000    
 N    4.164300       1.247500      0.4978000    
 C   -1.048800     -0.9840000      0.2849000    
 C    1.356700     -0.8945000      0.4090000    
 C   0.1105000     -0.3588000      0.7343000    
 C  -0.9736000      -2.139600     -0.4867000    
 C    1.437600      -2.052800     -0.3641000    
 C   0.2725000      -2.675200     -0.8120000    
 C   -2.788200      0.4200000     -0.2211000    
 C   -4.902800      0.8933000      0.9690000    
 C   -4.276500       2.225300      -1.025700    
 C    3.016800      0.6890000     -2.6400000E-02
 C    4.927200       2.277700     -0.1679000    
 H   4.9400002E-02  0.5433000       1.338100    
 H   -1.876200      -2.631700     -0.8389000    
 H    2.405200      -2.475500     -0.6210000    
 H   0.3356000      -3.577200      -1.413800    
 H   -2.215100      0.7133000      -1.120900    
 H   -4.960200     -0.1672000       1.236100    
 H   -5.918300       1.221300      0.7236000    
 H   -4.560200       1.456100       1.843100    
 H   -3.873100       3.147800     -0.5964000    
 H   -5.354200       2.351400      -1.172900    
 H   -3.829300       2.077600      -2.014400    
 H    4.489900      0.9169000       1.400900    
 H    5.941100       1.902400     -0.3263000    
 H    4.963600       3.151700      0.4868000    
 H    4.478500       2.550300      -1.126000    


%chk=000031099-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000031099

0 1
O 2.615032 -0.437165 0.161291
O 1.963286 1.766411 -0.503266
N -3.786635 1.329806 -0.121225
N -2.381786 -0.552428 0.160415
N 4.156932 1.200502 0.120921
C -1.102914 -1.149714 0.061726
C 1.341566 -1.075702 0.038728
C 0.110134 -0.400434 0.148406
C -1.037361 -2.563812 -0.084776
C 1.415715 -2.475935 -0.126836
C 0.210509 -3.211520 -0.181053
C -2.593287 0.660196 -0.301604
C -4.883074 0.724454 0.645624
C -4.027441 2.637016 -0.738519
C 2.826117 0.941208 -0.114778
C 4.735215 2.532635 -0.062640
H 0.087996 0.679580 0.305061
H -1.975980 -3.124484 -0.126418
H 2.393798 -2.960445 -0.193394
H 0.250365 -4.300038 -0.299323
H -1.849890 1.233137 -0.888532
H -4.530831 -0.244339 1.031804
H -5.770201 0.561216 0.002297
H -5.176301 1.378551 1.489762
H -4.299410 3.390071 0.027090
H -4.851247 2.586278 -1.478876
H -3.117331 2.983677 -1.256380
H 4.736015 0.418436 0.426930
H 5.532440 2.522372 -0.828812
H 5.152706 2.923436 0.883852
H 3.932561 3.207532 -0.399577


