%chk=000062329.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000062329

0 1
 O   -1.209000      -2.962500      -1.098400    
 O   -1.213200       2.966800       1.096100    
 O   -1.208900      -2.963800       1.096800    
 O   -1.214100       2.964300      -1.099100    
 O    3.922300      5.1000002E-03   1.098300    
 O    3.923400      4.6999999E-03  -1.096900    
 N  -0.9082000      -2.441000     -5.0000002E-04
 N  -0.9122000       2.443900     -1.1000000E-03
 N    3.320400      4.6000001E-03  3.9999999E-04
 C   -2.432600     -9.9999997E-05  1.0000000E-03
 C  -0.8949000      1.5000000E-03  3.0000001E-04
 C  -0.1964000      -1.206000      1.9999999E-04
 C  -0.1985000       1.210000      9.9999997E-05
 C   -2.950700     -0.7274000       1.260600    
 C   -2.952100     -0.7300000      -1.256600    
 C   -3.059100       1.412800     -1.9999999E-04
 C    1.198400      -1.204900     -9.9999997E-05
 C    1.196500       1.211000     -1.9999999E-04
 C    1.894900      3.7000000E-03 -3.9999999E-04
 C    1.948800      -2.502900     -8.9999998E-04
 C    1.945300       2.510100      5.0000002E-04
 H   -3.905000     -0.2989000       1.594800    
 H   -3.191200      -1.780700       1.101900    
 H   -2.265600     -0.6311000       2.111000    
 H   -3.906400     -0.3016000      -1.591000    
 H   -2.267800     -0.6357000      -2.107800    
 H   -3.193400      -1.782800      -1.095100    
 H   -4.152000       1.226900      3.9999999E-04
 H   -3.029100       1.956400      0.9436000    
 H   -3.029900       1.954300     -0.9453000    
 H    1.679800      -3.094500      0.8813000    
 H    1.706400      -3.076500     -0.9025000    
 H    3.036800      -2.406000      1.8500000E-02
 H    2.585500       2.576500     -0.8862000    
 H    1.317000       3.403700     -9.7000003E-03
 H    2.569900       2.583600      0.8978000    


%chk=000062329-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000062329

0 1
O -0.809406 -3.162895 -1.325615
O -1.259237 2.681113 1.640206
O -1.277436 -3.009229 0.900742
O -0.864488 3.375320 -0.495650
O 4.020473 0.485271 0.855952
O 3.922319 -0.467649 -1.215545
N -0.825714 -2.530434 -0.207123
N -0.833775 2.493085 0.439389
N 3.372768 0.008871 -0.151276
C -2.556034 0.000246 -0.009788
C -0.986153 0.001563 -0.016848
C -0.197207 -1.177968 -0.158137
C -0.191668 1.178182 0.148124
C -3.027677 -0.195659 1.467985
C -3.165852 -1.134862 -0.897590
C -3.174328 1.323567 -0.570949
C 1.220687 -1.233192 -0.215003
C 1.226213 1.237407 0.119687
C 1.887575 0.003685 -0.085397
C 1.960261 -2.548341 -0.370139
C 2.007680 2.522087 0.322133
H -4.132927 -0.195748 1.494490
H -2.670515 -1.156144 1.877457
H -2.665588 0.622495 2.114243
H -4.243434 -0.927774 -1.013080
H -2.721988 -1.158021 -1.908533
H -3.098210 -2.135767 -0.448500
H -4.249481 1.143306 -0.740611
H -3.116978 2.171964 0.125733
H -2.729292 1.616158 -1.538003
H 1.473828 -3.352617 0.206796
H 1.973049 -2.858066 -1.429763
H 3.004631 -2.475547 -0.034619
H 2.841287 2.595616 -0.397084
H 1.385437 3.418134 0.197288
H 2.456281 2.535341 1.330629