%chk=000116088.chk
%nprocshared=8
%mem=28GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116088

0 1
 O   0.3383000      -1.761600     -1.2100000E-02
 O   0.3744000       2.875000      2.9000000E-03
 N   0.3938000      0.5620000     -6.0000003E-04
 N   -1.662000       1.755600      9.8999999E-03
 N   -2.320400      -1.883000      5.9000002E-03
 C    1.855300      0.5646000     -3.1999999E-03
 C    2.379600     -0.1306000       1.258200    
 C    2.375300     -0.1234000      -1.270100    
 C    3.905000     -0.2154000       1.253700    
 C    3.900700     -0.2075000      -1.271400    
 C    4.427700     -0.8891000     -1.1800000E-02
 C  -0.2453000     -0.6766000     -3.0000000E-03
 C  -0.2568000       1.812400      4.1999999E-03
 C   -1.740200     -0.6436000      5.7000001E-03
 C   -2.370200      0.5494000      1.1700000E-02
 C   -2.416000       3.013000      1.4100000E-02
 C   -3.882700      0.6404000      2.0900000E-02
 C   -2.647400      -2.564700      -1.237500    
 C   -2.409000      -2.676800       1.222500    
 H    2.237100       1.592200     -7.9999998E-04
 H    1.998400      -1.146600       1.388400    
 H    2.053300      0.4273000       2.145100    
 H    2.045800      0.4395000      -2.152700    
 H    1.994700      -1.138800      -1.405300    
 H    4.247100     -0.7689000       2.135600    
 H    4.326100      0.7948000       1.329300    
 H    4.321200      0.8033000      -1.342000    
 H    4.240100     -0.7554000      -2.157800    
 H    5.523300     -0.8713000     -1.3600000E-02
 H    4.124800      -1.943500     -1.4600000E-02
 H   -1.747500       3.878600      5.5000000E-03
 H   -3.024600       3.075400      0.9210000    
 H   -3.042500       3.071600     -0.8809000    
 H   -4.238800       1.166700      0.9123000    
 H   -4.362600     -0.3436000      3.3900000E-02
 H   -4.249800       1.151700     -0.8747000    
 H   -2.811300      -1.852500      -2.054000    
 H   -3.563200      -3.155200      -1.127600    
 H   -1.833300      -3.237500      -1.526600    
 H   -3.369600      -3.200300       1.271600    
 H   -2.330300      -2.049600       2.117600    
 H   -1.606800      -3.421400       1.252500    


%chk=000116088-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116088

0 1
O 0.200499 -1.899826 -0.013027
O 0.409636 2.803255 0.022683
N 0.334748 0.451541 0.001008
N -1.685204 1.755675 0.027563
N -2.677962 -1.850662 0.005912
C 1.842699 0.419617 -0.011763
C 2.421034 -0.238341 1.265462
C 2.399784 -0.225062 -1.304887
C 3.966954 -0.144337 1.245055
C 3.945848 -0.130751 -1.308325
C 4.552781 -0.778323 -0.039923
C -0.401738 -0.779591 -0.001399
C -0.262804 1.729222 0.017464
C -1.868217 -0.659271 0.009526
C -2.470714 0.591927 0.023216
C -2.315156 3.095576 0.048035
C -3.970005 0.750699 0.032776
C -2.590838 -2.654200 -1.239543
C -2.575613 -2.672176 1.238500
H 2.133313 1.485774 -0.008570
H 2.108534 -1.296158 1.310708
H 2.018029 0.274555 2.160102
H 1.982446 0.296957 -2.187618
H 2.086731 -1.282398 -1.356105
H 4.380287 -0.643648 2.142490
H 4.275160 0.920687 1.299336
H 4.252959 0.934910 -1.356087
H 4.344745 -0.620206 -2.217646
H 5.655137 -0.673226 -0.048521
H 4.330094 -1.864826 -0.043905
H -1.504535 3.838024 0.031051
H -2.915794 3.232156 0.963725
H -2.960793 3.237563 -0.835200
H -4.317762 1.304308 0.924695
H -4.407041 -0.259279 0.036816
H -4.328498 1.299167 -0.858313
H -2.754640 -1.999396 -2.113409
H -3.391354 -3.417435 -1.228073
H -1.611091 -3.165513 -1.355359
H -3.373941 -3.437592 1.223539
H -2.732764 -2.030802 2.123509
H -1.593257 -3.181996 1.336706


