%chk=000036686.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036686

0 1
 N   0.6611000      0.4508000     -1.7999999E-02
 N   -2.081900       1.360400      6.8200000E-02
 N    3.029300      -3.319600      0.9135000    
 C    1.851400     -3.0400001E-02 -0.7165000    
 C  -0.4580000     -0.4837000     -0.1902000    
 C   0.2872000       1.790800     -0.4870000    
 C   -1.707700      2.1299999E-02  0.5392000    
 C  -0.9633000       2.295200      0.2413000    
 C    3.022900      0.9222000     -0.5516000    
 C    2.131000      -1.489300     -0.3897000    
 C    3.657200       1.115900      0.6881000    
 C   -3.273100       1.841600      0.7648000    
 C    2.865000      -1.981000      0.6984000    
 C    3.245400      0.3140000       1.892300    
 C    3.605700      -1.155700       1.719700    
 C    3.464100       1.666000      -1.661400    
 C    1.541400      -2.448700      -1.240200    
 C    4.710000       2.039500      0.7944000    
 C   -4.455800      0.9363000      0.5448000    
 C    4.511700       2.579400      -1.544500    
 C    5.133800       2.767400     -0.3157000    
 C    1.699100      -3.809900      -1.022500    
 C    2.450500      -4.191600      6.3400000E-02
 C   -4.730800      0.4694000     -0.7329000    
 C   -5.253700      0.5807000       1.623100    
 C   -5.826000     -0.3700000     -0.9363000    
 C   -6.348900     -0.2589000       1.419800    
 C   -6.635100     -0.7341000      0.1400000    
 C   -6.132500     -0.8781000      -2.304600    
 H    1.624600     -1.9099999E-02  -1.794700    
 H  -0.2558000      -1.454800      0.2716000    
 H  -0.7004000     -0.6339000      -1.250700    
 H   0.1042000       1.794300      -1.570500    
 H    1.073200       2.525300     -0.2822000    
 H   -2.496100     -0.7167000      0.3569000    
 H   -1.520200      2.9700000E-02   1.622300    
 H  -0.7355000       2.442000       1.306000    
 H   -1.232200       3.274500     -0.1730000    
 H   -3.550900       2.835500      0.3902000    
 H   -3.070900       1.951300       1.838800    
 H    3.767400      0.6952000       2.779600    
 H    2.179700      0.4473000       2.105200    
 H    3.456900      -1.638400       2.695400    
 H    4.677200      -1.242900       1.493200    
 H    2.988100       1.544000      -2.631700    
 H   0.9584000      -2.137700      -2.105000    
 H    5.213300       2.192900       1.745900    
 H    4.838200       3.145000      -2.412100    
 H    5.949700       3.477700     -0.2211000    
 H    1.249500      -4.540400      -1.684200    
 H    2.615800      -5.239300      0.2900000    
 H   -4.113400      0.7575000      -1.580000    
 H   -5.041900      0.9446000       2.624400    
 H   -6.978600     -0.5427000       2.257900    
 H   -7.490300      -1.388900     -4.6999999E-03
 H   -7.195800      -1.118400      -2.411600    
 H   -5.896400     -0.1254000      -3.064500    
 H   -5.548800      -1.781100      -2.509200    


%chk=000036686-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000036686

0 1
N 0.648957 0.336320 -0.022537
N -2.106966 1.201082 0.340855
N 3.317716 -3.226011 1.000901
C 1.855836 -0.108062 -0.805675
C -0.485558 -0.620980 -0.122172
C 0.196589 1.691979 -0.437797
C -1.663024 -0.153787 0.746050
C -0.980213 2.158286 0.432824
C 3.016454 0.885229 -0.687269
C 2.283692 -1.537361 -0.439664
C 3.597952 1.192890 0.577684
C -3.305592 1.658694 1.082090
C 2.970547 -1.915679 0.756777
C 3.089156 0.508832 1.832707
C 3.451706 -0.994977 1.876868
C 3.528273 1.494182 -1.856836
C 1.995904 -2.563523 -1.378062
C 4.668177 2.118304 0.629662
C -4.571266 0.887364 0.716754
C 4.603445 2.409365 -1.794994
C 5.173758 2.726497 -0.542401
C 2.355595 -3.901849 -1.128980
C 3.013335 -4.184840 0.088084
C -4.833679 0.534178 -0.629587
C -5.524868 0.561028 1.711130
C -6.026626 -0.133234 -1.002122
C -6.724024 -0.097170 1.356070
C -6.974946 -0.439700 0.008833
C -6.275700 -0.530444 -2.448117
H 1.576447 -0.142416 -1.892123
H -0.153443 -1.614430 0.222968
H -0.836449 -0.721801 -1.181321
H -0.123265 1.696058 -1.511108
H 1.035406 2.400532 -0.329364
H -2.507585 -0.855560 0.626366
H -1.348812 -0.171294 1.821122
H -0.620393 2.273041 1.487687
H -1.323365 3.149415 0.080321
H -3.449739 2.729736 0.831372
H -3.155999 1.610914 2.191631
H 3.529728 0.988900 2.726559
H 1.990442 0.611950 1.884540
H 3.084300 -1.431173 2.825444
H 4.554099 -1.106881 1.909762
H 3.076591 1.251359 -2.826942
H 1.480573 -2.299120 -2.309326
H 5.112042 2.359951 1.603356
H 4.987008 2.870738 -2.711677
H 6.003999 3.438913 -0.477935
H 2.136422 -4.697704 -1.847310
H 3.315905 -5.207008 0.345711
H -4.076808 0.781432 -1.384142
H -5.330163 0.821780 2.759058
H -7.461532 -0.344207 2.128467
H -7.908324 -0.949297 -0.261034
H -7.355021 -0.620271 -2.663759
H -5.846068 0.206516 -3.149651
H -5.811631 -1.509688 -2.677648


