%chk=000153939.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153939

0 1
 O   -1.968500      -2.041700      0.8524000    
 O    2.003100      0.3223000     -0.5101000    
 O   -3.582000      0.4677000       1.637300    
 O   -5.937800      0.6841000      -1.057400    
 N   -4.210000      0.2559000      0.3992000    
 N   -5.914500       1.730200      0.9706000    
 C   -3.498300     -0.6684000     -0.4426000    
 C   -2.081500     -0.2762000     -0.6284000    
 C   -3.285300      -2.022700      0.2445000    
 C   -1.272100      -1.087300      0.1548000    
 C   -1.537600      0.7451000      -1.387100    
 C   9.6100003E-02 -0.9101000      0.2224000    
 C   0.6572000      0.1136000     -0.5429000    
 C  -0.1539000      0.9348000      -1.344100    
 C   -5.386300      0.8698000      2.9100001E-02
 C    2.773100     -0.5434000      0.3216000    
 C    4.215800     -0.1377000      0.2482000    
 C    5.041200     -0.7015000     -0.7183000    
 C    4.714300      0.7989000       1.147100    
 C    6.382300     -0.3242000     -0.7867000    
 C    6.055400       1.176100       1.078600    
 C    6.889300      0.6145000      0.1115000    
 H   -4.018300     -0.8049000      -1.396100    
 H   -4.037500      -2.242300       1.010300    
 H   -3.307900      -2.837900     -0.4909000    
 H   -2.164400       1.389100      -1.994300    
 H   0.6549000      -1.581100      0.8625000    
 H   0.2945000       1.731600      -1.932400    
 H    2.683300      -1.585700     -1.2400000E-02
 H    2.448900     -0.4718000       1.368500    
 H   -3.120800       1.305500       1.460500    
 H   -6.776700       2.236000      0.7980000    
 H   -5.458200       1.880600       1.864000    
 H    4.656500      -1.431700      -1.424800    
 H    4.073500       1.244800       1.902800    
 H    7.031600     -0.7608000      -1.539900    
 H    6.450300       1.907700       1.777500    
 H    7.933400      0.9086000      5.7999998E-02


%chk=000153939-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153939

0 1
O -2.064203 -1.802974 1.230479
O 2.109320 0.316004 -0.382082
O -3.959910 1.170457 1.231517
O -6.238954 -0.186726 -1.202357
N -4.342047 0.549583 -0.051495
N -6.468201 1.408562 0.505757
C -3.524178 -0.638608 -0.398842
C -2.056628 -0.283411 -0.563370
C -3.476247 -1.738206 0.718202
C -1.296425 -0.969704 0.406019
C -1.408975 0.596844 -1.453491
C 0.097184 -0.824952 0.535438
C 0.730280 0.062255 -0.374202
C -0.012126 0.771415 -1.359917
C -5.745718 0.542593 -0.288764
C 2.946516 -0.423553 0.579246
C 4.398815 -0.065170 0.333189
C 4.867646 0.245394 -0.966669
C 5.314850 -0.086504 1.413778
C 6.235676 0.525689 -1.180746
C 6.684762 0.184221 1.197847
C 7.149452 0.491513 -0.101719
H -3.997169 -1.022772 -1.318484
H -4.121835 -1.491404 1.575520
H -3.720659 -2.736582 0.320268
H -1.981916 1.142145 -2.211209
H 0.637712 -1.377619 1.306245
H 0.527611 1.441589 -2.034317
H 2.779163 -1.512281 0.430323
H 2.649065 -0.165770 1.616168
H -3.187441 1.750545 0.989200
H -7.465404 1.492262 0.329840
H -6.013738 1.911218 1.265929
H 4.154294 0.281357 -1.795589
H 4.959339 -0.312197 2.427296
H 6.588676 0.770702 -2.188831
H 7.384127 0.164125 2.041086
H 8.210385 0.707459 -0.270268


