%chk=000083068.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083068

0 1
 N   -1.394900     -0.1467000      0.2295000    
 N   0.5634000       1.282100      0.2416000    
 N   0.8213000      -1.128600      0.2336000    
 C  -0.8228000       1.129800     -0.2367000    
 C  -0.5661000      -1.269900     -0.2451000    
 C    1.383800      0.1522000     -0.2319000    
 C   -2.775800     -0.2927000     -0.2294000    
 C    1.128000       2.554300     -0.2068000    
 C    1.642000      -2.249600     -0.2226000    
 C   -3.643900      0.8275000      0.3380000    
 C    2.550600       2.718500      0.3222000    
 C    1.101200      -3.563700      0.3354000    
 C   -5.091300      0.6861000     -0.1075000    
 C    3.153500       4.045300     -0.1128000    
 C    1.951000      -4.744800     -0.1074000    
 H  -0.8743000       1.210100      -1.331600    
 H   -1.369200       1.971600      0.1951000    
 H   -1.025200      -2.165100      0.1806000    
 H  -0.6010000      -1.351400      -1.340600    
 H    1.484700      0.1661000      -1.326200    
 H    2.382800      0.1980000      0.2078000    
 H   -2.832000     -0.2939000      -1.325900    
 H   -3.178500      -1.252700      0.1171000    
 H    1.126700       2.624500      -1.302500    
 H   0.5157000       3.381800      0.1729000    
 H    1.680500      -2.293700      -1.318800    
 H    2.671900      -2.119900      0.1332000    
 H   -3.600900      0.8265000       1.433700    
 H   -3.326600       1.815600     -6.3000000E-03
 H    2.562000       2.656800       1.416900    
 H    3.229600       1.952900     -6.3199997E-02
 H    1.071300      -3.530000       1.431000    
 H   8.9699998E-02  -3.781500     -1.8400000E-02
 H   -5.172800      0.7271000      -1.198500    
 H   -5.515300     -0.2638000      0.2335000    
 H   -5.698100       1.496300      0.3090000    
 H    3.196700       4.118800      -1.204300    
 H    2.563600       4.886400      0.2652000    
 H    4.172300       4.145300      0.2749000    
 H    1.965600      -4.831800      -1.198600    
 H    2.982800      -4.638400      0.2428000    
 H    1.549200      -5.677000      0.3023000    


%chk=000083068-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000083068

0 1
N -1.404781 -0.059964 0.044685
N 0.649136 1.243819 0.044594
N 0.751281 -1.185720 0.036798
C -0.752248 1.182061 -0.418468
C -0.649510 -1.238992 -0.427761
C 1.396141 0.059807 -0.426792
C -2.834705 -0.134255 -0.343479
C 1.297163 2.522134 -0.338990
C 1.532295 -2.385651 -0.350345
C -3.733913 0.844011 0.441911
C 2.611725 2.794086 0.422234
C 1.130990 -3.655572 0.430064
C -5.227078 0.648011 0.100590
C 3.176985 4.195779 0.105125
C 2.065264 -4.842554 0.109464
H -0.801789 1.243291 -1.556617
H -1.291699 2.051815 -0.009235
H -1.132819 -2.144480 -0.025703
H -0.677453 -1.302948 -1.566358
H 1.468037 0.075152 -1.565123
H 2.421091 0.090480 -0.022419
H -2.978634 0.034139 -1.444861
H -3.178412 -1.166314 -0.133304
H 1.491809 2.578475 -1.444092
H 0.583517 3.335594 -0.101208
H 1.465419 -2.592203 -1.452531
H 2.596800 -2.167835 -0.133715
H -3.558987 0.683344 1.521989
H -3.448014 1.891448 0.224362
H 2.411440 2.693299 1.505213
H 3.372404 2.031704 0.165040
H 1.160737 -3.420752 1.510390
H 0.087956 -3.942146 0.193337
H -5.415085 0.802095 -0.979140
H -5.564579 -0.373857 0.357978
H -5.860383 1.361477 0.658071
H 3.376484 4.312744 -0.977291
H 2.466019 4.989413 0.403372
H 4.125338 4.374632 0.643256
H 2.051050 -5.084532 -0.970482
H 3.111006 -4.612797 0.388667
H 1.761202 -5.749835 0.661972


