%chk=000076491.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076491

0 1
 O   -3.415500      1.3800000E-02  3.9999999E-04
 O    3.412200      1.7300000E-02  9.9999997E-05
 N   -3.670700       2.259900      7.0299998E-02
 N    3.665200       2.263600      7.1000002E-02
 C   -1.400100       1.246000      3.8100000E-02
 C    1.395700       1.247400      3.8100000E-02
 C   -2.836800       1.245200      3.8699999E-02
 C    2.838200       1.248100      3.8500000E-02
 C   -4.743800      0.2959000      9.3000000E-03
 C    4.746100      0.2932000      9.6000005E-03
 C   -4.900000       1.652200      5.1500000E-02
 C    4.895200       1.657100      5.2700002E-02
 C  -0.6962000      3.9000001E-02   0.000000    
 C   0.6986000      3.9700001E-02  1.9999999E-04
 C  -0.6973000       2.453800      7.6200001E-02
 C   0.6976000       2.454600      7.6200001E-02
 C   -5.628100     -0.8434000     -2.6200000E-02
 C    5.625700     -0.8377000     -2.5400000E-02
 C   -6.135100       2.449600      7.6099999E-02
 C    6.129400       2.455700      7.8800000E-02
 C   -6.882100     -0.7337000     -0.6273000    
 C    6.885800     -0.7340000     -0.6257000    
 C   -5.230000      -2.054100      0.5409000    
 C    5.233600      -2.056900      0.5394000    
 C   -7.738000      -1.834500     -0.6612000    
 C    7.742100      -1.834600     -0.6611000    
 C   -6.086100      -3.154900      0.5069000    
 C    6.090000      -3.157400      0.5041000    
 C   -7.340100      -3.045100     -9.4099998E-02
 C    7.344300      -3.046100     -9.6100003E-02
 H   -1.202700     -0.9226000     -2.9999999E-02
 H    1.206400     -0.9211000     -2.9800000E-02
 H   -1.219700       3.407100      0.1064000    
 H    1.219700       3.407900      0.1064000    
 H   -5.932000       3.467100      0.4262000    
 H   -6.568000       2.522800     -0.9261000    
 H   -6.878600       2.013600      0.7505000    
 H    6.564600       2.527300     -0.9226000    
 H    5.924800       3.473700      0.4265000    
 H    6.871700       2.021200      0.7555000    
 H   -7.215500      0.1880000      -1.094500    
 H    7.220600      0.1886000      -1.091200    
 H   -4.261200      -2.165300       1.022000    
 H    4.264300      -2.170600       1.019700    
 H   -8.712800      -1.750700      -1.132900    
 H    8.717200      -1.749600      -1.131900    
 H   -5.777100      -4.097300      0.9497000    
 H    5.781100      -4.100600      0.9451000    
 H   -8.006300      -3.902400     -0.1212000    
 H    8.010700      -3.903200     -0.1241000    


%chk=000076491-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000076491

0 1
O -3.582069 -0.110155 0.001729
O 3.582337 -0.108821 0.001789
N -3.699276 2.169540 -0.077432
N 3.698725 2.170942 -0.076528
C -1.421470 1.088566 -0.039762
C 1.421322 1.089099 -0.039558
C -2.874658 1.117093 -0.040800
C 2.874498 1.118147 -0.040374
C -4.958930 0.252293 -0.010476
C 4.959095 0.254148 -0.009898
C -5.009812 1.652871 -0.059467
C 5.009445 1.654748 -0.058447
C -0.701781 -0.138825 0.003299
C 0.702080 -0.138561 0.003381
C -0.700870 2.317681 -0.082736
C 0.700269 2.317945 -0.082624
C -5.932238 -0.833134 0.026112
C 5.932786 -0.830941 0.026483
C -6.187959 2.583080 -0.095077
C 6.187287 2.585393 -0.093058
C -7.333592 -0.570110 0.041710
C 7.334068 -0.567427 0.039368
C -5.494588 -2.190367 0.047056
C 5.495621 -2.188291 0.049856
C -8.261157 -1.630592 0.075687
C 8.262047 -1.627548 0.073296
C -6.427691 -3.244701 0.081345
C 6.429138 -3.242264 0.084013
C -7.816757 -2.973155 0.095503
C 7.818134 -2.970234 0.095645
H -1.253080 -1.083308 0.036758
H 1.253726 -1.082840 0.036885
H -1.264135 3.255304 -0.115694
H 1.263192 3.255777 -0.115481
H -5.818314 3.618573 -0.156824
H -6.837303 2.395345 -0.970356
H -6.813338 2.495173 0.813015
H 6.834804 2.401138 -0.970457
H 5.817262 3.621011 -0.150231
H 6.814628 2.494167 0.813325
H -7.700816 0.459147 0.029299
H 7.700928 0.461934 0.024589
H -4.421518 -2.403036 0.035653
H 4.422610 -2.401343 0.040456
H -9.334023 -1.408631 0.087459
H 9.334855 -1.405210 0.082941
H -6.072630 -4.281075 0.096880
H 6.074452 -4.278736 0.101446
H -8.540714 -3.794705 0.121965
H 8.542410 -3.791504 0.122034


