%chk=000033947.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033947

0 1
 O    2.135600      -1.743900      0.9524000    
 O  -0.3279000      -2.554200       1.470000    
 O   -6.010700     -0.4178000     -3.1000001E-03
 O    6.916100     -6.6900000E-02  -1.219200    
 N   -1.356900       3.183100      0.1520000    
 N   -1.283100     -0.4999000      0.8431000    
 C   -1.367300       1.758200     -0.1530000    
 C   -1.245800      0.9427000       1.126000    
 C  -0.1204000       3.554500      0.8426000    
 C   -1.511700       3.973900      -1.070600    
 C   -2.454500      -1.056100      0.1977000    
 C  -0.1258000       5.024600       1.225900    
 C   -2.789600       3.605200      -1.804800    
 C  -0.2186000      -1.359500       1.178500    
 C   -3.662300     -0.4522000      0.4229000    
 C    1.171100     -0.7514000       1.231700    
 C   -2.288200      -2.154500     -0.6024000    
 C   -4.789900     -0.9874000     -0.1995000    
 C   -3.416000      -2.689800      -1.224700    
 C   -4.666800      -2.106300      -1.023300    
 C    3.328300      -1.325300      0.4112000    
 C    3.812700     -6.1400000E-02  0.7182000    
 C    4.029700      -2.173500     -0.4345000    
 C   -7.120900      -1.016100     -0.6701000    
 C    5.022600      0.3628000      0.1688000    
 C    5.239500      -1.749200     -0.9839000    
 C    5.736100     -0.4811000     -0.6823000    
 C    7.364700       1.241700     -0.8696000    
 H  -0.5529000       1.492500     -0.8411000    
 H   -2.298100       1.484900     -0.6508000    
 H   -2.035600       1.185600       1.846300    
 H  -0.3162000       1.135200       1.659200    
 H  -2.2800000E-02   3.036400       1.799500    
 H   0.7712000       3.325700      0.2456000    
 H   -1.605200       5.038100     -0.8311000    
 H  -0.6536000       3.859100      -1.744900    
 H   0.6874000       5.223000       1.933500    
 H   -1.061700       5.313700       1.716600    
 H   4.3900002E-02   5.681600      0.3673000    
 H   -2.704400       2.658400      -2.347300    
 H   -3.650500       3.556600      -1.129000    
 H   -3.011800       4.371100      -2.556800    
 H   -3.800900      0.4029000       1.073800    
 H    1.330900     -0.3518000       2.239100    
 H    1.213300      4.9300000E-02  0.4834000    
 H   -1.325600      -2.608600     -0.8112000    
 H   -3.318000      -3.555600      -1.873400    
 H   -5.500100      -2.571600      -1.538700    
 H    3.298900      0.6138000       1.395700    
 H    3.645600      -3.161400     -0.6716000    
 H   -7.292300      -2.041700     -0.3258000    
 H   -8.010000     -0.4363000     -0.4014000    
 H   -7.016700     -0.9555000      -1.758700    
 H    5.353000       1.357300      0.4490000    
 H    5.790600      -2.411000      -1.646500    
 H    8.316100       1.406000      -1.386100    
 H    7.565400       1.324800      0.2040000    
 H    6.671800       2.012700      -1.223300    


%chk=000033947-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000033947

0 1
O 2.203727 -1.557023 -0.267313
O -0.252701 -2.599962 -0.456725
O -6.003102 -0.978039 1.284778
O 7.631387 -0.192761 0.405804
N -1.156648 3.202227 -0.567748
N -1.350301 -0.573232 -0.005095
C -1.281021 1.774309 -0.938561
C -1.267581 0.875397 0.325797
C 0.258066 3.653143 -0.472602
C -2.019073 4.109213 -1.372557
C -2.666577 -1.120302 -0.276659
C 0.453353 4.840100 0.490016
C -3.508650 4.003894 -0.993879
C -0.205898 -1.380262 -0.150206
C -3.731579 -0.836466 0.604933
C 1.134526 -0.662507 0.135940
C -2.897533 -1.917324 -1.429446
C -5.029935 -1.331141 0.334175
C -4.191849 -2.411204 -1.677357
C -5.274107 -2.124423 -0.812240
C 3.521085 -1.103299 -0.047271
C 3.873451 0.145247 0.513112
C 4.536903 -2.013390 -0.439968
C -7.357729 -1.497684 1.087186
C 5.239877 0.486068 0.681483
C 5.887306 -1.676281 -0.274187
C 6.247392 -0.422554 0.288072
C 8.049426 1.084374 0.982065
H -0.473995 1.448139 -1.638930
H -2.237120 1.609498 -1.466010
H -2.125282 1.161628 0.954067
H -0.367388 1.078522 0.928521
H 0.859214 2.799611 -0.101548
H 0.672523 3.909221 -1.480421
H -1.681568 5.145088 -1.187802
H -1.892208 3.925373 -2.469059
H 1.523114 5.113777 0.553962
H 0.091788 4.575628 1.498949
H -0.099283 5.736667 0.156395
H -3.904108 2.984815 -1.156761
H -3.649175 4.256186 0.071495
H -4.113067 4.698476 -1.606615
H -3.584507 -0.260593 1.523272
H 1.210347 -0.430830 1.221335
H 1.200998 0.290564 -0.430123
H -2.071426 -2.161888 -2.099069
H -4.367472 -3.029301 -2.564664
H -6.269864 -2.518121 -1.034384
H 3.111508 0.865636 0.826848
H 4.239311 -2.974895 -0.868303
H -7.369139 -2.605041 1.090272
H -7.938007 -1.118665 1.941250
H -7.799339 -1.125308 0.142103
H 5.492548 1.457085 1.117963
H 6.682636 -2.366470 -0.570711
H 9.149057 1.054797 0.984125
H 7.678282 1.201049 2.019781
H 7.701111 1.938633 0.367816


