%chk=000085917.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085917

0 1
 O    1.136800      -1.300500      0.4534000    
 O   -3.702000      0.4543000     -0.3084000    
 N   0.6214000      0.8353000     -0.3113000    
 N   -3.307500      -1.667900      0.4783000    
 C    2.941300      0.1331000     -0.2952000    
 C    1.480900     -0.2125000     -4.4999998E-03
 C    3.729800      -1.109300     -0.7035000    
 C    3.578900      0.7920000      0.9264000    
 C  -0.7304000      0.7807000     -0.1379000    
 C   -1.383900       2.099900      0.1554000    
 C   -1.444200     -0.3553000     -0.2185000    
 C   -2.921300     -0.4498000     -3.4299999E-02
 H    2.973100      0.8403000      -1.133800    
 H    3.263100      -1.597400      -1.566000    
 H    4.757000     -0.8465000     -0.9768000    
 H    3.771900      -1.843400      0.1087000    
 H    3.561300      0.1213000       1.792700    
 H    4.619700       1.066000      0.7253000    
 H    3.037200       1.702000       1.206100    
 H    1.030600       1.753200     -0.4677000    
 H   -1.796800       2.535700     -0.7601000    
 H  -0.6627000       2.816300      0.5671000    
 H   -2.175700       2.014700      0.9064000    
 H  -0.9768000      -1.304200     -0.4626000    
 H   -4.286200      -1.869900      0.6538000    
 H   -2.646800      -2.404900      0.7044000    


%chk=000085917-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000085917

0 1
O 1.235307 -1.299933 0.515700
O -3.828212 0.471779 0.057751
N 0.608286 0.840005 -0.229462
N -3.400676 -1.681448 0.786353
C 3.018488 0.273914 -0.092006
C 1.549076 -0.147523 0.094714
C 3.710188 -0.698740 -1.080376
C 3.729596 0.264477 1.286439
C -0.813412 0.800697 -0.167074
C -1.448278 2.105432 -0.602855
C -1.493127 -0.318949 0.247222
C -2.971798 -0.433162 0.339479
H 3.063955 1.301315 -0.509712
H 3.247041 -0.661338 -2.083077
H 4.780322 -0.443599 -1.182589
H 3.628397 -1.732875 -0.702967
H 3.664873 -0.743369 1.732466
H 4.795752 0.529065 1.167846
H 3.270122 0.982335 1.990047
H 0.997495 1.727404 -0.558562
H -1.177677 2.340649 -1.651148
H -1.100235 2.941824 0.034776
H -2.542810 2.027010 -0.525693
H -0.900966 -1.193316 0.532015
H -4.403129 -1.840057 0.876779
H -2.749879 -2.428399 1.021336


