%chk=000085276.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085276

0 1
 O   0.1055000       2.011200     -0.2542000    
 N   -1.363300     -0.3951000     -6.3800000E-02
 N    4.272500     -0.3776000     -4.7600001E-02
 C   -3.586600     -0.8175000      0.5758000    
 C   -3.591100     -1.9600000E-02 -0.7165000    
 C   -2.175400      -1.399000      0.6196000    
 C   -2.192200      0.5916000     -0.7518000    
 C   1.4900000E-02 -0.3801000     -5.8800001E-02
 C   0.7693000      0.8251000     -0.1541000    
 C   0.7703000      -1.583100      4.1299999E-02
 C    2.164100      0.8258000     -0.1499000    
 C    2.165000      -1.582200      4.5499999E-02
 C    2.862100     -0.3777000     -5.0099999E-02
 C  -0.2153000       2.678300      0.9646000    
 H   -3.742200     -0.1462000       1.429100    
 H   -4.359300      -1.590800      0.6029000    
 H   -3.726700     -0.6943000      -1.570500    
 H   -4.381200      0.7358000     -0.7490000    
 H   -1.852200      -1.562100       1.653200    
 H   -2.140400      -2.349400      7.5199999E-02
 H   -1.869100      0.7691000      -1.782800    
 H   -2.235500       1.537100     -0.2072000    
 H   0.2604000      -2.542000      0.1105000    
 H    2.702900       1.767600     -0.2262000    
 H    2.697800      -2.526600      0.1219000    
 H    4.778600      -1.250000      2.7400000E-02
 H    4.778800      0.4953000     -0.1142000    
 H  -0.7277000       2.009600       1.664000    
 H  -0.8749000       3.519200      0.7336000    
 H   0.6965000       3.068300       1.427800    


%chk=000085276-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000085276

0 1
O 0.203977 2.191622 -0.225445
N -1.399765 -0.192372 0.233184
N 4.284909 -0.471584 -0.296108
C -3.635605 -0.938547 0.478021
C -3.565192 -0.090772 -0.818237
C -2.170167 -1.384114 0.651867
C -2.212334 0.658679 -0.693643
C 0.009994 -0.261297 0.135979
C 0.805766 0.901951 -0.119278
C 0.724834 -1.481491 0.310637
C 2.201230 0.831989 -0.276652
C 2.126970 -1.555776 0.185798
C 2.891941 -0.402892 -0.138848
C -0.223008 2.727088 1.083055
H -3.947795 -0.312293 1.333963
H -4.328583 -1.793678 0.399399
H -3.553596 -0.760190 -1.698681
H -4.417196 0.601585 -0.929110
H -1.920275 -1.670136 1.690921
H -1.965752 -2.267457 -0.000213
H -1.703189 0.778198 -1.668176
H -2.355981 1.673407 -0.277734
H 0.175087 -2.400140 0.537267
H 2.738773 1.763706 -0.487816
H 2.629432 -2.520579 0.328388
H 4.774720 -1.354919 -0.198488
H 4.822647 0.355482 -0.533538
H -0.944667 2.045434 1.573975
H -0.695681 3.699152 0.870864
H 0.654107 2.870644 1.744348


