%chk=000003331.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003331

0 1
 O    2.446300      0.7845000      0.3996000    
 O   -2.396300      0.7925000      0.5031000    
 O    3.744100       2.166100     -0.9066000    
 O   -3.761300       2.173800     -0.7331000    
 N    4.689900      0.7274000      0.6173000    
 N   -4.626400      0.7282000      0.8318000    
 C   1.4900000E-02  0.6391000      0.3735000    
 C  -6.5000001E-03 -0.8613000      0.1069000    
 C    1.270400       1.305100     -0.2113000    
 C   -1.253800       1.318100     -0.1637000    
 C  -0.6021000      -1.323400      -1.047600    
 C   0.5702000      -1.708800       1.029300    
 C  -0.6220000      -2.696700      -1.291400    
 C   0.5504000      -3.082100      0.7856000    
 C  -4.5800000E-02  -3.576000     -0.3748000    
 C    3.632300       1.303900     -4.1700002E-02
 C   -3.604300       1.309600      0.1229000    
 H   2.2700001E-02  0.7696000       1.465200    
 H    1.229800       2.385900     -2.8800000E-02
 H    1.321500       1.134800      -1.294300    
 H   -1.195100       2.388300      7.6800004E-02
 H   -1.363600       1.249300      -1.251000    
 H   -1.033700     -0.6800000      -1.804000    
 H    1.036800      -1.333700       1.935100    
 H   -1.079500      -3.081500      -2.198300    
 H   0.9997000      -3.766800       1.499000    
 H  -5.9700001E-02  -4.645100     -0.5652000    
 H    4.546000      1.6200000E-02   1.326300    
 H    5.647500      0.9943000      0.4152000    
 H   -4.445700      1.5600000E-02   1.530800    
 H   -5.593500      0.9929000      0.6781000    


%chk=000003331-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003331

0 1
O 2.437275 0.874368 0.380108
O -2.369468 0.866045 0.717017
O 3.755184 2.024357 -1.203321
O -3.900063 2.003838 -0.672118
N 4.698084 0.667870 0.469703
N -4.595166 0.653196 1.122253
C 0.021671 0.707110 0.369266
C 0.006412 -0.797988 0.094078
C 1.227927 1.413878 -0.279899
C -1.266560 1.405655 -0.109060
C -0.069219 -1.298823 -1.230726
C 0.065128 -1.722811 1.164100
C -0.084702 -2.688808 -1.478617
C 0.049633 -3.115287 0.922491
C -0.025283 -3.603978 -0.401750
C 3.657602 1.259208 -0.212243
C -3.662085 1.244122 0.299141
H 0.096244 0.866136 1.461938
H 1.191811 2.507946 -0.117842
H 1.293530 1.229142 -1.367646
H -1.213296 2.500985 0.039322
H -1.482983 1.212320 -1.175556
H -0.116585 -0.605134 -2.080239
H 0.123004 -1.347411 2.193003
H -0.143025 -3.058125 -2.508786
H 0.095777 -3.816190 1.763939
H -0.037213 -4.682925 -0.592969
H 4.513202 0.036564 1.245274
H 5.648244 0.848140 0.159364
H -4.301996 0.026608 1.867678
H -5.579883 0.829791 0.946799


