%chk=000017956.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017956

0 1
 O   0.8503000     -0.1883000      0.6509000    
 O   -1.439000      -1.615400      0.3030000    
 O   -3.876300     -0.2118000     -0.3291000    
 N    4.364700     -0.1798000     -0.4521000    
 C    3.100900     -0.7205000      2.5699999E-02
 C   -1.491100     -0.2565000      0.1336000    
 C    2.074400      0.3876000      0.1993000    
 C  -0.3007000      0.4514000      0.3013000    
 C   -2.670200      0.4224000     -0.1835000    
 C   -2.601000      -2.263200     -0.2220000    
 C   -3.854100      -1.532500      0.2192000    
 C  -0.2851000       1.834800      0.1220000    
 C   -2.650900       1.804000     -0.3761000    
 C   -1.457200       2.509300     -0.2215000    
 C    5.341500      -1.251800     -0.6597000    
 C    4.893700      0.8104000      0.4889000    
 H    3.219200      -1.265400      0.9723000    
 H    2.703700      -1.449200     -0.6932000    
 H    1.950300      0.8942000     -0.7674000    
 H    2.379600       1.110600      0.9620000    
 H   -2.607600      -3.290900      0.1544000    
 H   -2.517800      -2.299500      -1.315300    
 H   -4.745700      -2.056600     -0.1389000    
 H   -3.915600      -1.459200       1.312100    
 H   0.6091000       2.433400      0.2685000    
 H   -3.561200       2.338600     -0.6333000    
 H   -1.443500       3.587000     -0.3569000    
 H    4.963400      -1.980900      -1.385000    
 H    5.578300      -1.780600      0.2707000    
 H    6.272000     -0.8505000      -1.076500    
 H    5.912200       1.101100      0.2031000    
 H    4.933300      0.4323000       1.517000    
 H    4.320200       1.742100      0.4666000    


%chk=000017956-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000017956

0 1
O 0.832482 -0.295007 -0.110011
O -1.486344 -1.631429 0.145662
O -4.026430 -0.178062 0.075813
N 4.557401 -0.083814 -0.166918
C 3.203309 -0.684547 -0.121071
C -1.553116 -0.230649 -0.040589
C 2.124675 0.401061 -0.238643
C -0.328490 0.482699 -0.185089
C -2.781252 0.477159 -0.089491
C -2.783347 -2.296667 -0.096008
C -3.901185 -1.542429 0.629486
C -0.353359 1.882002 -0.395818
C -2.807516 1.871819 -0.309760
C -1.592468 2.563496 -0.464948
C 5.575287 -0.993878 -0.729616
C 4.984152 0.482794 1.129467
H 3.023829 -1.278239 0.807598
H 3.088894 -1.377437 -0.973526
H 2.200067 0.906644 -1.220971
H 2.220482 1.160868 0.563501
H -2.663243 -3.321342 0.290501
H -2.983843 -2.325414 -1.184989
H -4.883698 -2.016397 0.473796
H -3.681027 -1.479479 1.713066
H 0.578962 2.440082 -0.513546
H -3.774574 2.381091 -0.345292
H -1.602865 3.644928 -0.635192
H 5.268274 -1.321226 -1.738468
H 5.752615 -1.906995 -0.106438
H 6.537072 -0.457798 -0.824306
H 5.942048 1.018307 1.002734
H 5.122968 -0.296016 1.922205
H 4.240038 1.210477 1.496959


