%chk=000006613.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006613

0 1
 O   -2.752900      -1.694400      0.3338000    
 O   -1.107300       2.879400     -0.1963000    
 O  -0.4849000      -2.118500      -1.075000    
 O    3.080800       1.613000     -0.8793000    
 O    3.151100      0.7907000       1.235900    
 N   0.7332000      -1.222900      0.6850000    
 C   -1.981200      0.6018000      4.5499999E-02
 C   -1.658300     -0.8196000      0.5944000    
 C  -0.8103000       1.581000      0.3060000    
 C   -3.244200       1.132500      0.7652000    
 C   -2.294300      0.5540000      -1.463400    
 C  -0.4266000      -1.469800     -3.2000002E-02
 C    2.030000      -1.711500      0.2765000    
 C    2.753400     -0.7251000     -0.6309000    
 C    3.011600      0.6094000      3.4400001E-02
 H   -1.532700     -0.7829000       1.682900    
 H   0.1113000       1.250900     -0.1806000    
 H  -0.6120000       1.673000       1.379100    
 H   -4.110000      0.4836000      0.5926000    
 H   -3.517800       2.134000      0.4149000    
 H   -3.081800       1.192000       1.847300    
 H   -2.599800       1.536100      -1.842100    
 H   -3.119100     -0.1275000      -1.694600    
 H   -1.421000      0.2403000      -2.044500    
 H   0.6858000     -0.6646000       1.532200    
 H   -2.789200      -1.875200     -0.6200000    
 H    2.606100      -1.891600       1.190300    
 H    1.905700      -2.668800     -0.2410000    
 H  -0.9919000       2.857700      -1.161100    
 H    2.147600     -0.5520000      -1.528400    
 H    3.719400      -1.136800     -0.9412000    
 H    3.249300       2.481600     -0.4557000    


%chk=000006613-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006613

0 1
O -2.785553 -1.704624 0.622390
O -1.341720 2.980580 -0.475700
O -0.649403 -2.246703 -0.945835
O 4.377414 1.314180 -0.102336
O 2.795047 0.704084 1.477419
N 0.766496 -1.052641 0.471207
C -2.151748 0.626213 -0.022879
C -1.698710 -0.726914 0.653600
C -0.962388 1.630139 -0.036588
C -3.309007 1.196370 0.836037
C -2.646642 0.358436 -1.466509
C -0.472678 -1.394818 -0.010416
C 2.014807 -1.619286 -0.060725
C 2.944593 -0.541956 -0.658001
C 3.330410 0.518797 0.356899
H -1.488262 -0.524192 1.722250
H -0.139523 1.241866 -0.674457
H -0.573811 1.785319 0.987179
H -4.125886 0.458042 0.904531
H -3.694225 2.132015 0.395492
H -2.965249 1.430124 1.861878
H -3.019442 1.289910 -1.934852
H -3.491165 -0.351362 -1.449901
H -1.853423 -0.069307 -2.106673
H 0.865622 -0.390328 1.246895
H -2.586642 -2.301633 -0.154903
H 2.541916 -2.163562 0.745376
H 1.731921 -2.346271 -0.840060
H -1.665136 2.931276 -1.410610
H 2.452023 -0.034514 -1.509850
H 3.866340 -1.000914 -1.059185
H 4.584026 2.021475 0.568228


