%chk=000110888.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000110888

0 1
 O  -0.9226000       1.732100       1.292900    
 O   -3.643800       1.281400      0.7533000    
 N   0.4691000      0.4073000     -8.9999996E-03
 N   -1.820600      0.2341000     -0.2541000    
 N   -5.303000     -0.6678000     -0.3123000    
 C    1.709100      0.9010000      0.5294000    
 C    2.278000       2.068100     -0.3011000    
 C    3.186400       1.446000      -1.375600    
 C    2.813000     -0.1055000      0.3993000    
 C    3.652200      0.2072000     -0.6778000    
 C    3.035400      -1.234600       1.171200    
 C    4.722600     -0.6060000      -1.010100    
 C    4.119900      -2.053600      0.8505000    
 C    4.956800      -1.742200     -0.2327000    
 C  -0.7734000      0.8728000      0.4256000    
 C   -4.030500     -0.3883000     -0.9612000    
 C   -3.182200      0.4756000     -5.0200000E-02
 C   -5.094600      -1.374500      0.9539000    
 C   -6.171900      -1.453100      -1.192200    
 H    1.569800       1.212200       1.570600    
 H    2.896300       2.700000      0.3525000    
 H    1.507200       2.712100     -0.7376000    
 H    4.010700       2.115600      -1.636400    
 H    2.616500       1.182700      -2.272500    
 H   0.4946000     -0.2765000     -0.7599000    
 H    2.385000      -1.482500       2.003100    
 H    5.365400     -0.3722000      -1.851900    
 H    4.316300      -2.944300       1.441400    
 H    5.792400      -2.395000     -0.4702000    
 H   -1.553500     -0.4523000     -0.9543000    
 H   -4.184300      0.1824000      -1.885000    
 H   -3.502800      -1.315200      -1.218300    
 H   -6.061200      -1.626600       1.406600    
 H   -4.538400      -2.309400      0.8155000    
 H   -4.574300     -0.7719000       1.703700    
 H   -6.358900     -0.9136000      -2.127400    
 H   -5.738800      -2.429600      -1.437500    
 H   -7.148900      -1.615600     -0.7236000    


%chk=000110888-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000110888

0 1
O -0.762645 1.275715 1.641147
O -3.383406 1.268462 0.165166
N 0.612185 0.040029 0.215615
N -1.698668 -0.366209 0.184812
N -5.332042 -0.703594 -0.687910
C 1.867814 0.636060 0.736208
C 2.181644 2.051407 0.144742
C 3.101868 1.800787 -1.089242
C 3.061999 -0.196969 0.278933
C 3.756872 0.461962 -0.768411
C 3.478523 -1.461257 0.743812
C 4.886060 -0.143728 -1.358228
C 4.615174 -2.066515 0.154580
C 5.312760 -1.410614 -0.889697
C -0.618508 0.408430 0.743176
C -3.992837 -1.107859 -0.252574
C -3.037595 0.071888 0.046825
C -6.132208 -0.054949 0.374708
C -6.059682 -1.805995 -1.346574
H 1.753592 0.686875 1.832902
H 2.735643 2.630447 0.905986
H 1.257800 2.604238 -0.089296
H 3.838368 2.611071 -1.235098
H 2.513437 1.732828 -2.026257
H 0.662935 -0.498118 -0.651999
H 2.939673 -1.963815 1.555476
H 5.433489 0.358472 -2.164395
H 4.962757 -3.042599 0.511087
H 6.194284 -1.887007 -1.333895
H -1.492311 -1.338285 -0.061797
H -3.539330 -1.724016 -1.055223
H -4.005498 -1.753203 0.670493
H -7.090483 0.287559 -0.053591
H -6.357428 -0.745336 1.227868
H -5.589582 0.823614 0.753928
H -5.476210 -2.187489 -2.204523
H -6.284707 -2.667649 -0.666242
H -7.020738 -1.424340 -1.733912


