%chk=000096947.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096947

0 1
 O    2.003700       1.972800      8.5299999E-02
 O   -2.003400      -1.973300      8.5500002E-02
 O  -0.6719000       2.570700      9.0300001E-02
 O   0.6717000      -2.570800      8.9599997E-02
 N    2.714000     -0.7652000      8.5500002E-02
 N   -2.714300      0.7654000      8.5699998E-02
 C    3.139800      -1.596400      -1.035700    
 C    3.625000     -0.1832000     -0.8949000    
 C   -3.140200       1.597400      -1.035000    
 C   -3.625900      0.1843000     -0.8946000    
 C    1.422200     -0.3217000      8.7200001E-02
 C   -1.422600      0.3215000      8.6599998E-02
 C    1.052300      0.9686000      8.7499999E-02
 C   -1.052700     -0.9687000      8.6000003E-02
 C  -0.3729000       1.378400      8.8900000E-02
 C   0.3725000      -1.378500      8.7700002E-02
 C    2.349000       2.335000       1.406700    
 C   -2.346200      -2.336100       1.407500    
 H    2.411400      -1.803000      -1.806900    
 H    3.799400      -2.399100     -0.7419000    
 H    4.617800     -1.6300000E-02 -0.5045000    
 H    3.238200      0.5355000      -1.602900    
 H   -2.412000       1.804100      -1.806400    
 H   -3.799400       2.400200     -0.7404000    
 H   -4.618600      1.7600000E-02 -0.5038000    
 H   -3.239500     -0.5344000      -1.602700    
 H    2.803400       1.499000       1.949600    
 H    1.480700       2.711000       1.959100    
 H    3.087600       3.140700       1.356100    
 H   -1.476800      -2.711900       1.958300    
 H   -3.084700      -3.142100       1.358000    
 H   -2.799900      -1.500300       1.951300    


%chk=000096947-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096947

0 1
O 2.197227 1.844727 -0.009258
O -2.196817 -1.844611 -0.008745
O -0.563744 2.683614 -0.158188
O 0.564005 -2.683441 -0.159001
N 2.659999 -0.908076 0.160457
N -2.659548 0.908217 0.161612
C 3.359272 -1.986138 -0.565993
C 3.926477 -0.555498 -0.513666
C -3.359089 1.986408 -0.564381
C -3.926301 0.555768 -0.512048
C 1.383501 -0.410606 0.042196
C -1.383108 0.410742 0.042798
C 1.106609 0.957561 0.046531
C -1.106212 -0.957431 0.046841
C -0.268862 1.442040 -0.030075
C 0.269217 -1.441908 -0.030272
C 2.178643 2.997493 0.922194
C -2.177609 -2.997763 0.922205
H 2.907861 -2.339952 -1.498364
H 3.802460 -2.768261 0.057929
H 4.770989 -0.333525 0.146258
H 3.857486 0.069847 -1.409696
H -2.908051 2.340362 -1.496879
H -3.802013 2.768441 0.059842
H -4.770551 0.333705 0.148183
H -3.857687 -0.069432 -1.408208
H 2.119069 2.644747 1.969730
H 1.330940 3.662417 0.693463
H 3.137611 3.510638 0.752172
H -1.329959 -3.662503 0.692729
H -3.136618 -3.510925 0.752477
H -2.117496 -2.645458 1.969859


