%chk=000122162.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122162

0 1
 O   -3.807100      -2.942200     -0.9019000    
 N   0.5495000       1.674200       1.004700    
 N   -2.746600      -1.743900      0.7863000    
 C  -0.3368000     -0.1252000      5.4200001E-02
 C   0.7066000      0.3255000      0.8296000    
 C   -1.161200      0.9928000     -0.2550000    
 C  -0.5601000      -1.521000     -0.3782000    
 C  -0.5829000       2.109000      0.3535000    
 C    1.848200     -0.3913000       1.430000    
 C   -1.416200      -2.319900      0.6225000    
 C   -2.347200       1.162800     -0.9963000    
 C    3.078500     -0.4565000      0.5339000    
 C   -1.133800       3.391700      0.2573000    
 C   -2.909900       2.440100      -1.100800    
 C   -2.310700       3.536100     -0.4828000    
 C    4.016800      0.5510000      0.6170000    
 C    3.215100      -1.520900     -0.3326000    
 C    5.143100      0.4913000     -0.2036000    
 C    4.341600      -1.580700      -1.153200    
 C   -3.817900      -2.113100      4.1999999E-03
 C    5.305600     -0.5746000      -1.088700    
 C   -5.074700      -1.385400      0.3999000    
 H   -1.052100      -1.527900      -1.359300    
 H   0.3853000      -2.046100     -0.5203000    
 H    1.551700      -1.412800       1.703300    
 H    2.128100      7.4600004E-02   2.385100    
 H    1.172800       2.268800       1.533800    
 H  -0.9490000      -2.333700       1.613100    
 H   -1.518100      -3.353900      0.2759000    
 H   -2.824800      0.3237000      -1.493100    
 H  -0.6680000       4.245500      0.7379000    
 H   -3.823800       2.577400      -1.672600    
 H   -2.764500       4.519300     -0.5774000    
 H   -2.872200      -1.046400       1.514100    
 H    3.897100       1.384400       1.302700    
 H    2.492400      -2.326700     -0.3759000    
 H    5.893800       1.274600     -0.1534000    
 H    4.471600      -2.414000      -1.837600    
 H    6.183400     -0.6220000      -1.726400    
 H   -5.808000      -1.455900     -0.4082000    
 H   -5.488300      -1.841400       1.303600    
 H   -4.868000     -0.3279000      0.5882000    


%chk=000122162-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122162

0 1
O -4.500078 -3.392083 1.113123
N 0.751997 1.336599 0.204857
N -3.021311 -1.591386 1.035449
C -0.506212 -0.506761 -0.296686
C 0.704649 -0.069777 0.258435
C -1.229889 0.685554 -0.717254
C -0.991991 -1.934308 -0.402998
C -0.411017 1.826706 -0.394261
C 1.836134 -0.851427 0.879557
C -1.817208 -2.407059 0.827730
C -2.483946 0.899353 -1.353246
C 3.235337 -0.409123 0.439887
C -0.809231 3.150003 -0.682709
C -2.885885 2.218305 -1.644180
C -2.058874 3.331902 -1.310683
C 4.271962 -0.247970 1.392753
C 3.528786 -0.182756 -0.930620
C 5.575611 0.123349 0.988871
C 4.829072 0.187235 -1.337406
C -4.289431 -2.139997 1.153755
C 5.858633 0.341105 -0.378587
C -5.420459 -1.131222 1.349362
H -1.615274 -2.054688 -1.309016
H -0.134990 -2.627334 -0.513900
H 1.687779 -1.918744 0.624890
H 1.776982 -0.794699 1.985918
H 1.562857 1.889494 0.477910
H -1.176357 -2.373095 1.732475
H -2.163762 -3.446964 0.693828
H -3.123769 0.051667 -1.624217
H -0.175442 4.008211 -0.432654
H -3.847425 2.396382 -2.138471
H -2.399989 4.345352 -1.549556
H -2.910748 -0.575022 1.051596
H 4.059050 -0.417335 2.455956
H 2.731292 -0.295656 -1.675340
H 6.365911 0.242508 1.738576
H 5.040751 0.354887 -2.399492
H 6.867753 0.628503 -0.694074
H -6.224417 -1.350854 0.626847
H -5.846886 -1.257813 2.360289
H -5.100665 -0.081645 1.226786


