%chk=000056877.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056877

0 1
 O    1.150600      0.8496000       1.053900    
 O  -0.8726000      0.4322000      -1.790900    
 N    3.144300      3.9299998E-02  0.2135000    
 N  -0.3326000     -0.9211000      1.5900001E-02
 C    5.379300     -0.5932000     -0.1862000    
 C    5.334000      0.8980000      0.1228000    
 C    3.938400     -0.9077000     -0.5631000    
 C    3.990200       1.058600      0.8171000    
 C    1.772100      2.2200000E-02  0.3851000    
 C    1.044700      -1.103700     -0.3051000    
 C   -1.201500     -0.1548000     -0.7633000    
 C   -2.601400     -4.1200001E-02 -0.2791000    
 C   -3.335800       1.075300     -0.6211000    
 C   -3.122300      -1.056000      0.4967000    
 C   -4.650200       1.182000     -0.1666000    
 C   -4.436800     -0.9492000      0.9511000    
 C   -5.200700      0.1698000      0.6193000    
 H    6.087200     -0.8452000     -0.9803000    
 H    5.661400      -1.149400      0.7159000    
 H    6.171100       1.233300      0.7410000    
 H    5.344900       1.470300     -0.8126000    
 H    3.748500     -0.7122000      -1.624000    
 H    3.660400      -1.939700     -0.3336000    
 H    4.061800      0.8398000       1.888300    
 H    3.555000       2.054000      0.6879000    
 H    1.365000      -2.069400      9.3500003E-02
 H    1.200600      -1.055400      -1.386100    
 H  -0.6481000      -1.312700      0.8969000    
 H   -2.920500       1.874500      -1.227700    
 H   -2.572400      -1.956700      0.7482000    
 H   -5.244900       2.053600     -0.4240000    
 H   -4.868600      -1.740600       1.556700    
 H   -6.224700      0.2522000      0.9718000    


%chk=000056877-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056877

0 1
O 1.489119 0.256376 1.804081
O -1.195948 -0.592807 -2.179818
N 3.316198 -0.021382 0.397086
N -0.329916 -0.164655 -0.081592
C 5.453560 -0.466190 -0.549870
C 5.633670 0.445684 0.692248
C 3.961451 -0.283821 -0.917724
C 4.309101 0.265555 1.469844
C 1.970019 0.003205 0.646578
C 1.043653 -0.289480 -0.546250
C -1.390174 -0.337729 -0.943019
C -2.778865 -0.208519 -0.366503
C -3.859608 -0.207492 -1.285032
C -3.052930 -0.104158 1.023078
C -5.188813 -0.093950 -0.828683
C -4.384470 0.007107 1.480116
C -5.455737 0.015509 0.556677
H 6.121688 -0.197045 -1.384690
H 5.648662 -1.519883 -0.279085
H 6.511862 0.171429 1.299777
H 5.750107 1.499112 0.378037
H 3.819973 0.578269 -1.600653
H 3.534613 -1.179099 -1.404367
H 4.353115 -0.584944 2.177043
H 3.999421 1.156289 2.041867
H 1.230567 -1.305992 -0.949829
H 1.241694 0.408688 -1.384826
H -0.418389 0.080117 0.911802
H -3.622411 -0.302102 -2.349826
H -2.246045 -0.124975 1.764923
H -6.015083 -0.091899 -1.548175
H -4.585752 0.083097 2.554375
H -6.487935 0.102184 0.914312


