%chk=000072674.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072674

0 1
 O  -0.7238000       2.179600     -0.3135000    
 O   0.3484000      -2.999600     -0.5220000    
 O    7.165900       1.431000      0.9418000    
 N   -1.073400      -1.284000      5.4699998E-02
 N   0.7907000      0.4717000     -0.6082000    
 N   -5.546200     -8.6800002E-02  0.1987000    
 N   -7.604400     -0.8186000      0.9735000    
 N   -7.575300       1.135600     -0.1992000    
 C   -1.216700      2.1800000E-02  0.6818000    
 C    1.299900     -0.8028000     -0.1235000    
 C   -2.677900      0.4293000      0.7797000    
 C  -0.4067000       1.003300     -0.1543000    
 C    2.540500      -1.229100     -0.8914000    
 C   0.1683000      -1.811800     -0.2648000    
 C   -3.322200      0.5387000     -0.6045000    
 C    3.775300     -0.5186000     -0.4015000    
 C   -4.793300      0.9325000     -0.5338000    
 C    4.143700      0.6871000     -0.9805000    
 C    4.525700      -1.081500      0.6205000    
 C    5.287600       1.344200     -0.5274000    
 C    5.669500     -0.4243000       1.073700    
 C    6.050500      0.7885000      0.4997000    
 C   -6.826200      9.3699999E-02  0.3007000    
 H  -0.7706000     -3.1900000E-02   1.681800    
 H    1.507700     -0.6962000      0.9491000    
 H   -3.215400     -0.3082000       1.387800    
 H   -2.762000       1.393400       1.296200    
 H   -1.865300      -1.920100      5.8300000E-02
 H    2.414500      -1.060400      -1.969700    
 H    2.713100      -2.308800     -0.7911000    
 H    1.407400       1.090700      -1.124300    
 H   -2.812600       1.280600      -1.226600    
 H   -3.248000     -0.4203000      -1.131400    
 H   -4.883800       1.907000     -3.8600001E-02
 H   -5.175100       1.025400      -1.557800    
 H    3.565300       1.126100      -1.788000    
 H    4.236400      -2.024400       1.075900    
 H    5.574800       2.287400     -0.9844000    
 H    6.259300     -0.8616000       1.874700    
 H    7.278300       2.253100      0.4341000    
 H   -7.194900      -1.642800       1.399500    
 H   -8.606800     -0.6954000       1.065000    
 H   -8.579000       1.172700     -5.7200000E-02
 H   -7.159900       1.899300     -0.7207000    


%chk=000072674-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000072674

0 1
O -0.127696 3.118496 0.841318
O -1.319891 -2.022486 -0.233284
O 6.982291 -0.051781 -0.162997
N -1.865308 -0.087555 0.921017
N 0.620384 0.965553 0.372318
N -4.284039 -0.060040 0.064336
N -4.138089 -2.202503 -0.856546
N -6.105806 -0.955715 -1.223756
C -1.518734 1.193318 1.558668
C 0.516526 -0.510573 0.439402
C -2.755122 2.132646 1.608893
C -0.296136 1.861491 0.885587
C 1.342691 -1.163322 -0.700243
C -0.970803 -0.929580 0.360166
C -3.546301 2.304949 0.278002
C 2.830630 -0.868037 -0.594149
C -4.747454 1.334136 0.082736
C 3.451437 0.097635 -1.425794
C 3.638902 -1.538514 0.364708
C 4.829143 0.393693 -1.309314
C 5.011654 -1.257709 0.495834
C 5.606700 -0.285413 -0.342721
C -4.838001 -1.031491 -0.642919
H -1.207132 1.015610 2.614251
H 0.919217 -0.873539 1.412355
H -3.441273 1.764587 2.396859
H -2.373774 3.116910 1.933323
H -2.963032 -0.204401 0.632490
H 0.939064 -0.806357 -1.665165
H 1.137287 -2.246867 -0.654396
H 1.491360 1.356598 -0.002454
H -3.951954 3.334700 0.245215
H -2.859609 2.211406 -0.584885
H -5.466029 1.497579 0.917507
H -5.272760 1.612070 -0.859983
H 2.856969 0.613625 -2.190237
H 3.186573 -2.301355 1.010592
H 5.288012 1.143112 -1.967478
H 5.636253 -1.776577 1.228961
H 7.306144 0.643768 -0.787563
H -3.122152 -2.233951 -0.618799
H -4.634981 -3.069904 -1.045768
H -6.360223 -1.560905 -2.000362
H -6.741638 -0.207807 -0.962925


