%chk=000032008.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000032008

0 1
 O    5.168800      9.7599998E-02  0.2753000    
 N  -0.3280000      0.4689000     -0.3899000    
 N  -0.7144000      -1.202100       1.288900    
 N   -5.288100      0.1588000     -0.3221000    
 C    1.057300      0.3757000     -0.2229000    
 C   -2.587000     -0.1289000      0.1037000    
 C   -1.113600     -0.2859000      0.3355000    
 C    1.792600     -0.5308000     -0.9865000    
 C    1.703800       1.189200      0.7076000    
 C    3.820800      0.1895000      0.1110000    
 C    3.174400     -0.6239000     -0.8197000    
 C    3.085600       1.096200      0.8745000    
 C   -3.057500       1.091100     -0.2988000    
 C   -3.397800      -1.212300      0.3039000    
 C   -4.425300       1.184400     -0.4997000    
 C   -4.750300      -1.016100      7.6099999E-02
 C    5.858700     -0.8514000     -0.5367000    
 H    1.296900      -1.168400      -1.714200    
 H    1.139600       1.898900       1.307100    
 H    3.683800      -1.349000      -1.445100    
 H    3.583500       1.732300       1.601200    
 H   -2.427600       1.959100     -0.4514000    
 H   -3.042700      -2.191400      0.6004000    
 H   -4.877700       2.118300     -0.8169000    
 H   -5.459300      -1.827000      0.2070000    
 H   0.2664000      -1.364400       1.489700    
 H   -1.372800      -1.706300       1.872700    
 H    5.777700     -0.6048000      -1.600800    
 H    5.534800      -1.875500     -0.3221000    
 H    6.920000     -0.7903000     -0.2744000    


%chk=000032008-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000032008

0 1
O 5.325107 0.372156 0.068413
N -0.342038 0.481686 -0.053946
N -0.833383 -1.709535 0.835067
N -5.434737 0.386818 -0.186695
C 1.068488 0.347107 -0.005757
C -2.647919 -0.206655 0.125957
C -1.183449 -0.471375 0.295853
C 1.783895 -0.769505 -0.527690
C 1.824801 1.447146 0.499846
C 3.923318 0.291259 0.006824
C 3.197660 -0.798063 -0.532897
C 3.226791 1.415858 0.521546
C -3.100328 1.125032 -0.060312
C -3.625907 -1.235591 0.136588
C -4.480286 1.370327 -0.206948
C -4.988514 -0.892590 -0.021592
C 6.088958 -0.746940 -0.484804
H 1.235153 -1.596651 -0.994088
H 1.281576 2.321844 0.870808
H 3.712114 -1.661922 -0.965286
H 3.807633 2.254284 0.917974
H -2.363451 1.931737 -0.091700
H -3.354556 -2.293472 0.224306
H -4.855220 2.390426 -0.345178
H -5.761002 -1.670195 -0.023014
H 0.150107 -1.914522 1.008691
H -1.531016 -2.290397 1.293525
H 5.883761 -0.880653 -1.565184
H 5.870168 -1.690846 0.052598
H 7.144877 -0.475268 -0.339503