%chk=000052418.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052418

0 1
 O    1.808700      -2.184200       1.037300    
 O    2.145500       3.298700      0.6944000    
 O   -6.839000     -0.1867000      0.2074000    
 O   -5.470000     -0.5521000      -1.567800    
 N  -0.6933000      2.4999999E-03  0.1380000    
 N    4.201900     -0.2587000     -0.9301000    
 C   0.4234000      0.2962000       1.024600    
 C    1.749900      0.1039000      0.3387000    
 C   -1.966400      0.2031000      0.8214000    
 C   -3.127900     -0.1391000     -0.1126000    
 C    2.339500       1.162400     -0.3326000    
 C    2.370600      -1.133600      0.3835000    
 C   -4.487200      4.9899999E-02  0.5539000    
 C    3.589100      -1.262500     -0.2633000    
 C    1.710400       2.510400     -0.4074000    
 C    3.559400      0.9307000     -0.9474000    
 C    4.308500      -2.571400     -0.2519000    
 C   -5.622900     -0.2698000     -0.3861000    
 H   0.3787000     -0.3532000       1.909500    
 H   0.3457000       1.310400       1.434200    
 H   -2.059500       1.247700       1.142000    
 H   -2.023800     -0.4309000       1.714600    
 H   -3.034100      -1.178300     -0.4547000    
 H   -3.070600      0.4900000      -1.010900    
 H  -0.6315000     -0.9636000     -0.1832000    
 H   -4.601600       1.088400      0.8832000    
 H   -4.567100     -0.6111000       1.423900    
 H    2.014500       3.024300      -1.326900    
 H   0.6176000       2.487000     -0.4287000    
 H    4.078900       1.715400      -1.488800    
 H    3.706000      -3.350200     -0.7303000    
 H    5.250600      -2.500400     -0.8068000    
 H    4.554600      -2.870700      0.7720000    
 H    2.364400      -2.976300      0.9761000    
 H    3.101900       3.168000      0.8105000    
 H   -7.566900     -0.3856000     -0.4193000    


%chk=000052418-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052418

0 1
O 2.176574 -2.296388 1.241692
O 1.403449 3.077659 0.711670
O -6.884529 0.451457 0.138899
O -5.633571 -0.487809 -1.576070
N -0.689098 -0.091214 0.224033
N 4.243791 -0.231705 -1.059029
C 0.469855 -0.000742 1.157334
C 1.780042 -0.070200 0.390511
C -1.998710 0.103904 0.885010
C -3.144749 0.009588 -0.139319
C 2.223219 1.010518 -0.425379
C 2.609367 -1.215279 0.449079
C -4.518319 0.229014 0.522171
C 3.837227 -1.271963 -0.277848
C 1.412192 2.286141 -0.545272
C 3.444912 0.873577 -1.124638
C 4.731311 -2.493979 -0.209749
C -5.676224 0.014847 -0.432413
H 0.453026 -0.789785 1.939857
H 0.409137 0.982882 1.659306
H -1.993011 1.109605 1.351547
H -2.179305 -0.631200 1.711944
H -3.132896 -0.981302 -0.633799
H -2.980540 0.757328 -0.936190
H -0.665215 -0.975516 -0.305183
H -4.606150 1.245121 0.950605
H -4.660050 -0.468303 1.373330
H 1.792219 2.902411 -1.385379
H 0.351216 2.043079 -0.714400
H 3.806801 1.683407 -1.770062
H 4.229597 -3.404849 -0.595125
H 5.617810 -2.309926 -0.835165
H 5.081225 -2.702961 0.821643
H 2.835338 -3.034012 1.211745
H 2.339694 3.307292 0.942662
H -7.627636 0.279901 -0.501617


