%chk=000118052.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118052

0 1
 O  -0.7984000      -1.944000     -5.6200001E-02
 N   -2.208000      0.9183000      -1.121000    
 N   -1.337800      0.6074000       1.083600    
 C  -0.4456000     -0.7325000     -0.6931000    
 C   -1.387700      0.3305000     -0.1807000    
 C   -2.621500       2.661700      0.4825000    
 C   -3.144200       1.958800     -0.7628000    
 C   -2.284800       1.630500       1.557600    
 C   0.9815000     -0.3679000     -0.4023000    
 C    1.704400      0.3722000      -1.330500    
 C    1.565100     -0.7738000      0.7918000    
 C   -2.149800      -2.307000     -0.3202000    
 C    3.623400      0.3077000      0.1357000    
 C    3.030300      0.7112000      -1.060400    
 C    2.890900     -0.4347000       1.062000    
 C   -2.458600      -3.608200      0.3894000    
 C    5.040900      0.6697000      0.4243000    
 H  -0.5639000     -0.8689000      -1.775800    
 H   -3.364400       3.373900      0.8569000    
 H   -1.717600       3.231400      0.2312000    
 H   -4.125100       1.512200     -0.5669000    
 H   -3.253900       2.668900      -1.588400    
 H   -1.836800       2.143300       2.415600    
 H   -3.194500       1.134500       1.915500    
 H   -2.190100      0.6151000      -2.090200    
 H    1.251200      0.6939000      -2.264100    
 H    1.014200      -1.344600       1.533900    
 H   -2.857100      -1.559800      5.2000001E-02
 H   -2.296100      -2.433100      -1.398900    
 H    3.589900       1.291900      -1.788900    
 H    3.341000     -0.7514000       1.999100    
 H   -3.489200      -3.922100      0.2016000    
 H   -1.781700      -4.400500      5.3100001E-02
 H   -2.312600      -3.502200       1.469500    
 H    5.625100      0.7472000     -0.4990000    
 H    5.084300       1.629600      0.9483000    
 H    5.524500     -9.1700003E-02   1.045800    


%chk=000118052-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000118052

0 1
O -0.708434 -1.727693 0.832986
N -1.667685 0.858286 0.979714
N -2.060860 0.773090 -1.406848
C -0.579487 -0.890827 -0.370647
C -1.520555 0.324358 -0.293195
C -3.552187 2.173753 0.110326
C -2.471711 2.067789 1.212779
C -2.902090 1.998424 -1.286011
C 0.884339 -0.462415 -0.505146
C 1.269222 0.351392 -1.601184
C 1.867244 -0.869189 0.424866
C -1.964212 -2.503933 0.854157
C 3.611167 0.345374 -0.830339
C 2.612732 0.747094 -1.757925
C 3.213195 -0.464670 0.261299
C -1.968191 -3.333051 2.137479
C 5.060572 0.761947 -1.018767
H -0.885041 -1.460392 -1.272925
H -4.069757 3.147799 0.182899
H -4.304845 1.377279 0.263694
H -1.828271 2.972489 1.196651
H -2.939837 2.012472 2.213168
H -3.683150 1.948647 -2.066416
H -2.276439 2.884895 -1.522983
H -1.213029 0.361681 1.748258
H 0.504923 0.676836 -2.316770
H 1.572250 -1.505869 1.263399
H -2.832934 -1.812743 0.817413
H -2.003208 -3.155658 -0.044547
H 2.894169 1.375769 -2.612393
H 3.965349 -0.788069 0.991773
H -2.885450 -3.947125 2.194331
H -1.093755 -4.005794 2.166006
H -1.931219 -2.679240 3.026566
H 5.150369 1.850828 -1.190732
H 5.671823 0.506413 -0.136014
H 5.512293 0.257552 -1.894923


