%chk=000115858.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115858

0 1
 N  -0.3479000      0.2062000      0.2595000    
 N    3.238100       1.075900     -0.3036000    
 C   0.9309000      0.8905000      0.4922000    
 C    1.969100      0.3870000     -0.5023000    
 C  -0.3354000      -1.208100      0.3615000    
 C   -1.506500       1.023400      0.2361000    
 C    4.240400      0.5961000      -1.257000    
 C    3.715200      0.8934000       1.068500    
 C   -1.174700      -2.032800     -0.4147000    
 C   -2.625600      0.7316000     -0.5700000    
 C   0.5243000      -1.844800       1.288800    
 C   -1.582700       2.169700       1.063600    
 C   -2.045200      -1.538500      -1.487100    
 C   -2.665800     -0.3562000      -1.553500    
 C    3.766300      0.7758000      -2.689100    
 C    5.003800       1.661500       1.308500    
 C   -1.124500      -3.433800     -0.2569000    
 C   -3.754300       1.577100     -0.5383000    
 C   0.5559000      -3.232000       1.442200    
 C   -2.710600       2.991900       1.093000    
 C  -0.2712000      -4.028500      0.6680000    
 C   -3.799700       2.694400      0.2906000    
 H   0.8434000       1.970600      0.3087000    
 H    1.187600      0.7819000       1.548000    
 H    2.122900     -0.6957000     -0.4434000    
 H    1.561800      0.5942000      -1.499000    
 H    5.161400       1.182500      -1.175200    
 H    4.500500     -0.4559000      -1.084600    
 H    3.021200       1.319200       1.796500    
 H    3.856900     -0.1652000       1.319300    
 H    1.177300      -1.272800       1.942800    
 H  -0.7690000       2.425800       1.739500    
 H   -2.217200      -2.233800      -2.307500    
 H   -3.296700     -0.1773000      -2.423000    
 H    3.008500      3.9799999E-02  -2.975200    
 H    3.372000       1.782700      -2.864700    
 H    4.610000      0.6336000      -3.374100    
 H    5.869800       1.182000      0.8419000    
 H    4.933800       2.695100      0.9524000    
 H    5.213400       1.701200       2.383700    
 H   -1.755400      -4.081300     -0.8640000    
 H   -4.617000       1.371300      -1.170200    
 H    1.224300      -3.683100       2.169500    
 H   -2.735100       3.857300       1.748600    
 H  -0.2514000      -5.108400      0.7772000    
 H   -4.680200       3.329200      0.3041000    


%chk=000115858-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000115858

0 1
N -0.348283 0.121795 0.124912
N 3.371014 0.804426 -0.342848
C 0.958858 0.810275 0.268596
C 2.063175 0.144825 -0.588813
C -0.444088 -1.253063 0.542873
C -1.529668 0.943496 0.086242
C 4.195659 0.968206 -1.569384
C 4.114842 0.192061 0.791219
C -1.252303 -2.191177 -0.179876
C -2.633135 0.617235 -0.768360
C 0.330361 -1.715209 1.639120
C -1.570405 2.148770 0.835374
C -2.104929 -1.819850 -1.318562
C -2.700186 -0.612081 -1.571196
C 3.671567 2.081448 -2.496233
C 5.084479 1.172365 1.478974
C -1.218925 -3.559156 0.210042
C -3.712883 1.538831 -0.863867
C 0.341745 -3.077060 2.011770
C -2.655859 3.045599 0.727123
C -0.435705 -4.010962 1.291481
C -3.736168 2.742957 -0.131192
H 0.834887 1.843287 -0.095070
H 1.301934 0.890203 1.323869
H 2.106675 -0.949470 -0.386746
H 1.782403 0.258455 -1.650464
H 5.221519 1.230533 -1.252064
H 4.277325 0.008072 -2.139819
H 3.369530 -0.146085 1.536299
H 4.669132 -0.725573 0.467426
H 0.938724 -1.002782 2.205080
H -0.740541 2.390265 1.507433
H -2.362175 -2.649561 -1.992001
H -3.387159 -0.567162 -2.428025
H 2.645718 1.872472 -2.850564
H 3.655651 3.046004 -1.959568
H 4.319490 2.180183 -3.387407
H 5.870694 1.528493 0.788873
H 4.533182 2.054941 1.847702
H 5.588159 0.683232 2.333938
H -1.825051 -4.275383 -0.358249
H -4.545494 1.294866 -1.535129
H 0.958736 -3.403403 2.856597
H -2.652703 3.974408 1.308501
H -0.427735 -5.071399 1.564208
H -4.579363 3.434374 -0.230915


