%chk=000037553.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037553

0 1
 O   0.2119000       2.039900     -0.2181000    
 N  -0.5589000     -0.1608000      4.2399999E-02
 N   -2.722800      -1.109900      0.1454000    
 N    5.777000      -1.006900      6.6200003E-02
 C    1.805000      0.3547000     -3.5300002E-02
 C   -1.966800     -6.0999999E-03  1.6600000E-02
 C   0.4299000      0.8264000     -7.1199998E-02
 C    2.819900       1.197900      0.4167000    
 C    2.109200     -0.9407000     -0.4537000    
 C    4.443200     -0.5497000      3.2200001E-02
 C   -4.060000     -0.9127000      0.1151000    
 C    4.139000      0.7458000      0.4504000    
 C    3.428200      -1.393000     -0.4200000    
 C   -2.449400       1.275200     -0.1397000    
 C   -4.657700      0.3280000     -3.6800001E-02
 C   -3.830100       1.437700     -0.1661000    
 C   -4.917600      -2.125900      0.2559000    
 H    2.603900       2.209000      0.7520000    
 H    1.359600      -1.620000     -0.8487000    
 H  -0.2789000      -1.124600      0.1988000    
 H    4.921000       1.412000      0.8059000    
 H    3.654200      -2.401700     -0.7563000    
 H   -1.877200       2.180700     -0.2455000    
 H   -5.736300      0.4422000     -5.6000002E-02
 H   -4.262000       2.426800     -0.2870000    
 H   -4.307400      -3.028200      0.3679000    
 H   -5.557400      -2.039400       1.139800    
 H   -5.547000      -2.252200     -0.6308000    
 H    5.998000      -1.946200     -0.2361000    
 H    6.513200     -0.3962000      0.3947000    


%chk=000037553-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000037553

0 1
O 0.231434 2.132410 0.047241
N -0.613166 -0.051684 0.054054
N -2.729831 -0.975224 0.059405
N 5.855405 -1.054035 0.024286
C 1.818462 0.300735 0.027195
C -2.004275 0.187597 0.026367
C 0.436483 0.875124 0.039764
C 2.897652 1.204350 0.229214
C 2.131188 -1.069987 -0.190153
C 4.536999 -0.610965 0.022708
C -4.092542 -0.903669 0.034924
C 4.228804 0.767613 0.231912
C 3.460821 -1.522719 -0.194386
C -2.596473 1.475487 -0.030330
C -4.768388 0.344044 -0.025011
C -4.005778 1.532570 -0.057319
C -4.849945 -2.215776 0.073624
H 2.652170 2.260660 0.380605
H 1.345972 -1.810027 -0.388799
H -0.401213 -1.051266 0.110539
H 5.041574 1.485871 0.394528
H 3.676265 -2.583077 -0.372931
H -1.962705 2.362639 -0.047512
H -5.862492 0.372523 -0.044299
H -4.504308 2.506991 -0.102117
H -4.138799 -3.054542 0.126743
H -5.521686 -2.264148 0.950843
H -5.478785 -2.341282 -0.827532
H 6.078266 -2.033735 -0.126483
H 6.622588 -0.404379 0.171617