%chk=000089176.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089176

0 1
 O    2.042200       1.658000     -0.3485000    
 N   -1.811800      0.1544000      0.3581000    
 N    3.078900     -0.3781000      4.9100000E-02
 C   -2.947700       1.071300      0.2668000    
 C   -2.109400     -0.9149000     -0.5944000    
 C   -4.141700      0.1303000      0.2016000    
 C   -3.590000      -1.176100     -0.3610000    
 C  -0.5436000      0.8111000      7.7900000E-02
 C   0.6103000     -0.1807000      0.2156000    
 C    1.965000      0.4619000     -5.5599999E-02
 C    3.037700      -1.797700      0.3924000    
 C    4.410200      0.1604000     -0.2020000    
 H   -2.906700       1.680400     -0.6454000    
 H   -3.009000       1.740700       1.130600    
 H   -1.534400      -1.827400     -0.4099000    
 H   -1.948000     -0.5967000      -1.632400    
 H   -4.939700      0.5376000     -0.4274000    
 H   -4.556700     -4.2599998E-02   1.201500    
 H   -3.734200      -1.982800      0.3674000    
 H   -4.097700      -1.465000      -1.286800    
 H  -0.5368000       1.259200     -0.9247000    
 H  -0.3934000       1.630700      0.7922000    
 H   0.6187000     -0.5932000       1.231300    
 H   0.5039000     -0.9972000     -0.5065000    
 H    3.646500      -1.956300       1.287600    
 H    3.462800      -2.367600     -0.4392000    
 H    2.031600      -2.167000      0.5881000    
 H    4.380900       1.223200     -0.4545000    
 H    4.860500     -0.3886000      -1.034200    
 H    5.019200      2.6900001E-02  0.6969000    


%chk=000089176-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000089176

0 1
O 2.103256 1.670982 -0.299583
N -1.812007 0.112343 0.222546
N 3.155446 -0.361594 0.110407
C -2.939141 1.082192 0.251013
C -2.268190 -0.970390 -0.689999
C -4.184089 0.175548 0.380159
C -3.780061 -1.142410 -0.364289
C -0.509555 0.720635 -0.119506
C 0.650827 -0.260162 0.131107
C 2.013992 0.427425 -0.038216
C 3.155277 -1.798288 0.415059
C 4.481287 0.255032 -0.064935
H -2.992826 1.682146 -0.694609
H -2.821575 1.787289 1.092988
H -1.691569 -1.898165 -0.524737
H -2.134903 -0.674691 -1.763792
H -5.083475 0.648208 -0.051675
H -4.387496 -0.035226 1.444016
H -3.950100 -2.020456 0.281864
H -4.365772 -1.292023 -1.288243
H -0.476884 1.073387 -1.180725
H -0.358371 1.613640 0.511209
H 0.545487 -0.660638 1.159115
H 0.577257 -1.124979 -0.556781
H 3.823405 -2.003903 1.274006
H 3.520217 -2.390586 -0.448769
H 2.148486 -2.151066 0.677825
H 4.334457 1.314543 -0.323426
H 5.041646 -0.249160 -0.876204
H 5.072573 0.184566 0.868777


