%chk=000100776.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100776

0 1
 N    3.232200     -0.5169000      0.4372000    
 N    5.179700       1.446900     -0.4050000    
 N   -3.072600      -1.145200     -0.3388000    
 C    3.020800      0.2998000     -0.7641000    
 C    4.667200     -0.7161000      0.6749000    
 C    3.744700       1.645100     -0.6431000    
 C    5.392100      0.6288000      0.7953000    
 C    2.542400      -1.800100      0.3208000    
 C    5.868400       2.730600     -0.2868000    
 C    1.061000      -1.627900      0.1473000    
 C   0.3757000     -0.7230000      0.9492000    
 C   0.3902000      -2.374500     -0.8142000    
 C   -1.000400     -0.5624000      0.7875000    
 C  -0.9859000      -2.213700     -0.9762000    
 C   -1.681300      -1.307600     -0.1753000    
 C   -3.934500     -4.8300002E-02 -0.1440000    
 C   -5.263500     -0.2599000      0.2267000    
 C   -3.461300       1.252900     -0.3217000    
 C   -6.117100      0.8264000      0.4187000    
 C   -4.314900       2.339300     -0.1294000    
 C   -5.642800       2.125900      0.2409000    
 H    1.962700      0.5292000     -0.9282000    
 H    3.377800     -0.2269000      -1.660200    
 H    5.120500      -1.308000     -0.1319000    
 H    4.814600      -1.271300       1.609300    
 H    3.599000       2.200600      -1.577600    
 H    3.291100       2.237400      0.1635000    
 H    5.045000       1.155500       1.694700    
 H    6.463400      0.4326000      0.9252000    
 H    2.696500      -2.392000       1.232600    
 H    2.959300      -2.384200     -0.5108000    
 H    6.945300       2.578100     -0.1544000    
 H    5.498000       3.324300      0.5567000    
 H    5.744800       3.318800      -1.202800    
 H   0.8830000     -0.1461000       1.717500    
 H   0.9196000      -3.084000      -1.444000    
 H   -1.520100      0.1319000       1.442000    
 H   -1.505200      -2.799600      -1.730300    
 H   -3.546100      -1.984800     -0.6606000    
 H   -5.645100      -1.267800      0.3693000    
 H   -2.438400       1.448600     -0.6314000    
 H   -7.151000      0.6605000      0.7069000    
 H   -3.947300       3.351100     -0.2728000    
 H   -6.307700       2.971800      0.3893000    


%chk=000100776-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100776

0 1
N 3.311569 -0.484586 0.283044
N 5.406516 1.420186 -0.330549
N -3.199022 -1.156357 -0.294490
C 3.317542 0.263072 -0.999150
C 4.696050 -0.682219 0.775414
C 4.022974 1.616801 -0.825371
C 5.399174 0.673542 0.949461
C 2.553297 -1.755942 0.204850
C 6.159481 2.684685 -0.242227
C 1.052185 -1.550738 0.039475
C 0.367479 -0.549768 0.773317
C 0.288861 -2.391841 -0.805532
C -1.028272 -0.387136 0.674593
C -1.106949 -2.236706 -0.922548
C -1.789999 -1.230809 -0.183310
C -4.066995 -0.069026 -0.047853
C -5.447413 -0.348276 0.171844
C -3.639922 1.289325 -0.067396
C -6.370439 0.697624 0.369203
C -4.572889 2.326475 0.143523
C -5.941236 2.046045 0.365696
H 2.272760 0.425576 -1.318893
H 3.840905 -0.316395 -1.801369
H 5.299571 -1.308515 0.070358
H 4.655979 -1.203836 1.750611
H 4.066084 2.136645 -1.801020
H 3.420714 2.248910 -0.122747
H 4.876333 1.248012 1.757420
H 6.445360 0.507814 1.269418
H 2.746916 -2.301427 1.151763
H 2.925052 -2.416841 -0.621099
H 7.200165 2.478000 0.066787
H 5.720918 3.413967 0.486501
H 6.188255 3.170355 -1.234452
H 0.952529 0.104806 1.429195
H 0.792087 -3.172438 -1.390053
H -1.530095 0.364299 1.290613
H -1.674452 -2.887437 -1.600146
H -3.655930 -2.015253 -0.605733
H -5.788916 -1.391288 0.194619
H -2.596531 1.534174 -0.283331
H -7.426872 0.457862 0.535584
H -4.225759 3.366001 0.118944
H -6.657263 2.858462 0.526938


