%chk=000086862.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086862

0 1
 O   0.1722000      -2.359100       1.397500    
 N   -1.245700       1.365800     -0.5424000    
 N  -0.1635000      -3.152100     -0.7321000    
 C   -1.214700      5.8800001E-02  0.1259000    
 C   -2.531500     -0.6979000     -9.6600004E-02
 C  -3.5300002E-02 -0.7493000     -0.4120000    
 C   -3.729300      0.1302000      0.3610000    
 C   -3.697900       1.515000     -0.2766000    
 C   -2.348800       2.194900     -5.6100000E-02
 C    1.278300     -1.9099999E-02 -0.1928000    
 C   3.8999999E-03  -2.148500      0.1987000    
 C    1.437800      0.7459000      0.9464000    
 C    2.278200     -0.1400000      -1.138300    
 C    2.644200       1.416400       1.147800    
 C    3.484700      0.5305000     -0.9367000    
 C    3.667600       1.308600      0.2065000    
 H   -1.135100      0.1997000       1.210400    
 H   -2.542300      -1.643900      0.4564000    
 H   -2.652000     -0.9469000      -1.159300    
 H  -0.1748000     -0.8511000      -1.499200    
 H   -3.710400      0.2294000       1.453300    
 H   -4.662000     -0.3820000      0.1005000    
 H   -3.894400       1.426100      -1.352500    
 H   -4.498300       2.134100      0.1442000    
 H   -1.351700       1.227900      -1.547900    
 H   -2.332000       3.153800     -0.5854000    
 H   -2.203800       2.421000       1.007200    
 H   0.6931000      0.8337000       1.727600    
 H    2.145900     -0.7455000      -2.030100    
 H  -0.3023000      -2.968900      -1.720500    
 H  -0.1554000      -4.126800     -0.4503000    
 H    2.790600       2.015400       2.042000    
 H    4.282200      0.4457000      -1.669100    
 H    4.607800       1.828800      0.3645000    


%chk=000086862-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000086862

0 1
O -0.426080 -2.228747 1.640967
N -1.266971 1.384800 -0.551650
N 0.371917 -3.237488 -0.285899
C -1.338001 0.044819 0.087651
C -2.695672 -0.668104 -0.175190
C -0.123811 -0.813205 -0.369484
C -3.876733 0.240891 0.249827
C -3.791679 1.631416 -0.425376
C -2.398626 2.265128 -0.165390
C 1.220154 -0.093542 -0.197742
C -0.089398 -2.141554 0.422698
C 1.703135 0.236841 1.094310
C 2.004936 0.242673 -1.327421
C 2.938931 0.900384 1.246775
C 3.243253 0.908009 -1.177333
C 3.714259 1.240703 0.112723
H -1.242307 0.195530 1.181934
H -2.736540 -1.623267 0.380777
H -2.778052 -0.902856 -1.258899
H -0.254593 -1.047775 -1.447865
H -3.849935 0.370398 1.351587
H -4.839650 -0.249552 0.010547
H -3.948291 1.526109 -1.519300
H -4.590948 2.297209 -0.043288
H -1.196028 1.302095 -1.578201
H -2.294022 3.225108 -0.704218
H -2.296158 2.484335 0.916531
H 1.111047 -0.034893 1.975995
H 1.639797 -0.002092 -2.333801
H 0.697171 -3.158169 -1.247683
H 0.486639 -4.123388 0.206611
H 3.300009 1.152387 2.250514
H 3.834822 1.168329 -2.062664
H 4.672724 1.758065 0.233957


