%chk=000157031.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157031

0 1
 O    1.724700      -2.762700      0.5674000    
 N   -1.026400       1.441600      0.8971000    
 N    1.141000     -0.6378000     -0.2255000    
 C   -1.189800     -5.9599999E-02  -1.117000    
 C   0.5458000       1.665900      -1.045200    
 C   -1.945100      0.6526000      4.7100000E-02
 C  -0.4509000      0.9703000      -1.964900    
 C  -0.2209000       2.376700      8.9100003E-02
 C  -0.1713000      -1.121700     -0.6717000    
 C    1.543300      0.6794000     -0.4677000    
 C   -2.761800     -0.3661000      0.8575000    
 C   -1.719600       2.181200       1.954000    
 C    2.793200       1.070600     -0.1652000    
 C    2.009200      -1.585500      0.3477000    
 C   -3.706000      -1.113900     -2.5400000E-02
 C    3.726000      0.1550000      0.4286000    
 C    3.376900      -1.106500      0.6935000    
 C   -3.668200      -2.439700     -0.1993000    
 H   -1.920900     -0.5464000      -1.773500    
 H    1.078000       2.426200      -1.632000    
 H   -2.657600       1.352600     -0.4172000    
 H   -1.154900       1.695600      -2.390900    
 H   6.1900001E-02  0.4890000      -2.807200    
 H   0.5019000       2.890300      0.7368000    
 H  -0.8644000       3.154000     -0.3459000    
 H  -0.5777000      -1.786900      9.5799997E-02
 H   4.0399998E-02  -1.773600      -1.531200    
 H   -3.386300      0.1459000       1.598800    
 H   -2.112800      -1.041800       1.425800    
 H   -2.147300       1.506000       2.700900    
 H   -2.514200       2.822300       1.556300    
 H   -1.016500       2.815800       2.506400    
 H    3.127700       2.088600     -0.3344000    
 H   -4.471200     -0.5426000     -0.5446000    
 H    4.719200      0.5184000      0.6673000    
 H    4.068700      -1.807300       1.145600    
 H   -4.384400      -2.928400     -0.8508000    
 H   -2.929300      -3.057400      0.2990000    


%chk=000157031-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000157031

0 1
O 1.643712 -2.764649 0.462394
N -1.034310 1.432992 0.842491
N 1.197958 -0.572537 -0.269493
C -1.150866 -0.056614 -1.153718
C 0.571854 1.714412 -1.069168
C -1.962470 0.657582 -0.027781
C -0.412402 0.990992 -2.011378
C -0.239889 2.408052 0.061269
C -0.146130 -1.107782 -0.641641
C 1.583197 0.740697 -0.484631
C -2.832746 -0.337834 0.790496
C -1.657612 2.073227 2.019309
C 2.871126 1.151449 -0.139752
C 2.074714 -1.572602 0.313580
C -3.763027 -1.157041 -0.080838
C 3.779970 0.221121 0.451072
C 3.395089 -1.095092 0.674963
C -3.842262 -2.511471 -0.090907
H -1.885861 -0.600553 -1.775406
H 1.130593 2.500132 -1.609499
H -2.673223 1.360311 -0.551215
H -1.129864 1.717220 -2.439252
H 0.121209 0.510290 -2.852849
H 0.451948 2.923801 0.752176
H -0.890196 3.190917 -0.414624
H -0.527539 -1.652384 0.237249
H 0.023124 -1.882201 -1.413683
H -3.456059 0.239745 1.501857
H -2.184759 -0.997875 1.395647
H -2.047306 1.316226 2.718808
H -2.491840 2.771899 1.755289
H -0.887302 2.652530 2.558327
H 3.164433 2.187777 -0.327646
H -4.435993 -0.579584 -0.736363
H 4.788804 0.550260 0.725762
H 4.066104 -1.832425 1.123763
H -4.557905 -3.040078 -0.730859
H -3.193873 -3.130808 0.541353


