%chk=000080062.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080062

0 1
 O   0.5722000       2.883900     -0.1522000    
 N    6.916700      -1.400200      0.1013000    
 N   -6.571700      -2.096100      0.1471000    
 C   7.1999999E-03   1.657600      0.3129000    
 C   0.8907000      0.4995000     -0.1698000    
 C   -1.434500       1.569200     -0.2079000    
 C    2.356200      0.5850000      0.2793000    
 C   -2.190100      0.3315000      0.2807000    
 C    3.206600     -0.5939000     -0.1988000    
 C   -3.641700      0.3446000     -0.2063000    
 C    4.673900     -0.4171000      0.2010000    
 C   -4.444300     -0.8833000      0.2356000    
 C    5.528200      -1.577100     -0.3072000    
 C   -5.869500     -0.9036000     -0.3157000    
 H   9.1000004E-03   1.686700       1.408800    
 H   0.8748000      0.4716000      -1.267000    
 H   0.4826000     -0.4533000      0.1843000    
 H   -1.428200       1.595100      -1.305400    
 H   -1.975900       2.472800      0.1016000    
 H    2.794700       1.517000     -9.7499996E-02
 H    2.393000      0.6373000       1.374500    
 H   -1.706600     -0.5795000     -8.7499999E-02
 H   -2.170700      0.2939000       1.376200    
 H    3.132200     -0.6782000      -1.289800    
 H    2.814600      -1.525900      0.2256000    
 H   -3.651500      0.4010000      -1.302000    
 H   -4.141600       1.249300      0.1616000    
 H    4.748100     -0.3501000       1.293800    
 H    5.053100      0.5285000     -0.2069000    
 H   -4.471500     -0.9118000       1.332500    
 H   -3.916900      -1.789100     -9.0700001E-02
 H   3.2400001E-02   3.609800      0.2046000    
 H    5.475700      -1.636500      -1.399900    
 H    5.155800      -2.524600      9.6799999E-02
 H   -6.413300     -1.0500000E-02  1.0800000E-02
 H   -5.849000     -0.9014000      -1.410500    
 H    7.482100      -2.153300     -0.2884000    
 H    7.283000     -0.5346000     -0.2928000    
 H   -6.620700      -2.092100       1.165100    
 H   -7.534800      -2.070700     -0.1853000    


%chk=000080062-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000080062

0 1
O 0.626037 2.924431 -0.203941
N 6.966421 -1.503567 0.324494
N -6.686525 -2.068261 0.385308
C 0.007464 1.633833 0.186683
C 0.937745 0.549746 -0.379743
C -1.445493 1.552398 -0.334098
C 2.348365 0.565370 0.248575
C -2.231401 0.326000 0.184399
C 3.294793 -0.485675 -0.372863
C -3.719661 0.341761 -0.231680
C 4.692601 -0.499862 0.284747
C -4.500863 -0.890524 0.275178
C 5.649935 -1.529320 -0.348467
C -5.990850 -0.867396 -0.122202
H -0.009932 1.557990 1.299821
H 1.012997 0.705301 -1.475020
H 0.473436 -0.443554 -0.220204
H -1.429098 1.556147 -1.442437
H -1.986158 2.473016 -0.021264
H 2.777980 1.577953 0.129843
H 2.265159 0.381542 1.340668
H -1.762389 -0.605920 -0.188861
H -2.164532 0.286526 1.292602
H 3.397834 -0.286121 -1.460336
H 2.838294 -1.494539 -0.283282
H -3.789454 0.392617 -1.338412
H -4.197055 1.267880 0.152871
H 4.606318 -0.723688 1.365709
H 5.141665 0.513646 0.206161
H -4.419931 -0.944562 1.382432
H -4.050946 -1.821902 -0.119545
H 0.044331 3.662478 0.110567
H 5.699897 -1.337723 -1.450069
H 5.221936 -2.543145 -0.221742
H -6.437433 0.097835 0.226929
H -6.067538 -0.870638 -1.227050
H 7.602572 -2.255605 0.040954
H 7.424737 -0.586552 0.287610
H -6.654764 -2.160651 1.406172
H -7.636095 -2.195866 0.021993


