%chk=000096448.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096448

0 1
 O  -0.4654000       2.260700      0.3843000    
 O   -1.748800      -2.251500      0.2919000    
 N   -1.132300      8.0000004E-03  0.3419000    
 N   0.5033000      -1.745200     -7.9999998E-04
 N    2.313000       1.252900     -7.6899998E-02
 N    2.802300     -0.9126000     -0.2802000    
 C    1.131500      0.5806000      5.0999999E-02
 C   -2.524600      0.3826000      0.5659000    
 C    1.459200     -0.7416000     -7.7100001E-02
 C  -0.1909000       1.069200      0.2715000    
 C  -0.8547000      -1.401100      0.2150000    
 C   -3.279300      0.6175000     -0.7372000    
 C    3.289400      0.3110000     -0.2747000    
 C   0.9014000      -3.140200     -0.1436000    
 C    2.523000       2.679700     -1.8700000E-02
 C   -4.727100       1.030100     -0.5123000    
 H   -2.558600       1.292300       1.177300    
 H   -3.024900     -0.4020000       1.145400    
 H   -2.774800       1.395100      -1.323400    
 H   -3.258100     -0.2933000      -1.347700    
 H    4.330600      0.5724000     -0.4077000    
 H    1.365600      -3.278800      -1.124900    
 H   4.3900002E-02  -3.812800     -6.1200000E-02
 H    1.620700      -3.387100      0.6434000    
 H    3.584800       2.898600     -0.1579000    
 H    1.941700       3.147900     -0.8169000    
 H    2.197400       3.037800      0.9610000    
 H   -4.783400       1.962000      5.9200000E-02
 H   -5.230400       1.187300      -1.471400    
 H   -5.272900      0.2561000      3.6400001E-02


%chk=000096448-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096448

0 1
O -0.524250 2.311407 0.406862
O -1.773164 -2.239405 0.276083
N -1.120924 0.018503 0.355115
N 0.500434 -1.740357 -0.001854
N 2.389305 1.279465 -0.071357
N 2.834130 -0.957118 -0.286311
C 1.164705 0.605450 0.062947
C -2.548036 0.392637 0.566204
C 1.476017 -0.758093 -0.074387
C -0.171867 1.096117 0.282863
C -0.851551 -1.376140 0.212067
C -3.307509 0.584530 -0.764968
C 3.348684 0.302008 -0.276561
C 0.860572 -3.163447 -0.156235
C 2.595249 2.734957 -0.003266
C -4.776525 0.984202 -0.512940
H -2.548645 1.333397 1.141932
H -3.016695 -0.411131 1.157544
H -2.800424 1.366988 -1.360189
H -3.266757 -0.358270 -1.341571
H 4.401883 0.535964 -0.413193
H 1.328824 -3.330025 -1.140688
H -0.064389 -3.751266 -0.069432
H 1.576658 -3.458648 0.628700
H 3.665964 2.948811 -0.151217
H 2.004505 3.241761 -0.782771
H 2.271796 3.122189 0.976031
H -4.840991 1.933556 0.051181
H -5.317977 1.121288 -1.465984
H -5.307425 0.206270 0.066996


