%chk=000149338.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149338

0 1
 O  -0.4139000     -9.3199998E-02  0.7004000    
 O    5.171200      -1.964100      0.2596000    
 O    3.625100       2.522000     -0.3917000    
 O    5.715300      0.7210000     -0.1502000    
 O   2.4100000E-02  -2.185000     -0.1550000    
 O   -5.637600       2.538800      0.9350000    
 O   -3.492600       2.255000      0.5397000    
 N   -3.977100     -0.3427000     -0.3467000    
 N   -5.873200      -1.460800     -0.4980000    
 N   -4.678500       1.816200      0.5394000    
 C   -2.546000     -6.1000001E-02 -0.4356000    
 C   -1.798600     -0.4295000      0.8390000    
 C   -4.574300      -1.512300     -0.6933000    
 C   -4.932400      0.5138000      9.6299998E-02
 C   -6.103000     -0.2003000     -6.3999998E-03
 C   -3.820100      -2.669500      -1.217000    
 C    1.784900     -0.5974000      9.8700002E-02
 C   0.4088000      -1.059000      0.1878000    
 C    2.055100      0.7555000     -0.1068000    
 C    2.834700      -1.507700      0.2209000    
 C    4.154900      -1.065000      0.1375000    
 C    3.375300       1.198000     -0.1903000    
 C    4.425100      0.2878000     -6.8099998E-02
 C    5.669900      -2.203900       1.574000    
 C    2.495200       3.384700     -0.5057000    
 C    6.107800       1.358600      -1.363600    
 H   -2.151700     -0.6679000      -1.260500    
 H   -2.357200      0.9543000     -0.7887000    
 H   -2.180400      0.1465000       1.688800    
 H   -1.927600      -1.485400       1.104700    
 H   -7.102700      0.1227000      0.2478000    
 H   -3.381500      -2.442900      -2.193700    
 H   -4.486600      -3.528600      -1.347100    
 H   -3.024100      -2.973400     -0.5312000    
 H    1.210200       1.426200     -0.2141000    
 H    2.634000      -2.564000      0.3838000    
 H    6.479700      -2.935300       1.505200    
 H    6.067200      -1.281800       2.010000    
 H    4.881900      -2.613200       2.214200    
 H    2.879800       4.398700     -0.6576000    
 H    1.888400       3.142100      -1.384700    
 H    1.906500       3.405300      0.4179000    
 H    7.157800       1.113100      -1.548400    
 H    5.520500       1.013200      -2.221600    
 H    6.028000       2.444300      -1.259400    


%chk=000149338-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000149338

0 1
O -0.602605 0.560930 0.487141
O 4.701453 -2.332353 -0.151901
O 4.069818 2.507506 0.027411
O 5.776671 0.284042 -0.242996
O -0.350849 -1.760299 0.488528
O -6.601787 2.152935 -0.125941
O -4.324172 2.377993 -0.275713
N -4.096890 -0.486250 -0.475941
N -5.785156 -1.996661 -0.211823
N -5.411264 1.654056 -0.228700
C -2.724264 0.026004 -0.673622
C -2.055422 0.355142 0.681812
C -4.442847 -1.836267 -0.422422
C -5.296532 0.232971 -0.281390
C -6.316321 -0.722970 -0.128862
C -3.468813 -2.957654 -0.594905
C 1.616380 -0.329483 0.260064
C 0.172357 -0.617175 0.418107
C 2.106462 1.001486 0.208101
C 2.507274 -1.423604 0.175836
C 3.888920 -1.200568 0.010786
C 3.487488 1.230309 0.052559
C 4.396791 0.130669 -0.083931
C 5.860211 -2.477871 0.758325
C 3.180064 3.659950 0.213937
C 6.267597 1.179577 -1.317452
H -2.149565 -0.762909 -1.183165
H -2.756405 0.924019 -1.306258
H -2.426537 1.308643 1.084434
H -2.214999 -0.470805 1.398080
H -7.373035 -0.536660 0.042112
H -3.170090 -3.076669 -1.654492
H -3.962459 -3.889199 -0.279829
H -2.545544 -2.814087 -0.005918
H 1.398339 1.826546 0.302604
H 2.131946 -2.449183 0.222825
H 6.338936 -3.421296 0.455863
H 6.557252 -1.631891 0.646874
H 5.511749 -2.552410 1.806412
H 3.841904 4.537746 0.190327
H 2.435069 3.728849 -0.601554
H 2.661787 3.606927 1.189982
H 7.360282 1.051336 -1.307178
H 5.858205 0.858000 -2.292918
H 5.990899 2.224528 -1.109907


