%chk=000076510.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076510

0 1
 N  -1.2500000E-02   2.202300     -0.2297000    
 N   -2.925400     -0.1079000      0.1193000    
 N    3.431500      0.7929000      8.0600001E-02
 N   -6.397600      -1.323600     -0.5137000    
 N    6.075100      -1.821200     -0.2681000    
 C  -0.7580000       1.033300      0.2239000    
 C    1.382100       2.125100      0.2081000    
 C   -2.182600       1.074000     -0.3211000    
 C    2.036600      0.8609000     -0.3410000    
 C   -4.278200     -9.6500002E-02 -0.4268000    
 C    4.044700     -0.4579000     -0.3688000    
 C   -5.035700      -1.343600      1.8999999E-02
 C    5.470000     -0.5664000      0.1649000    
 C  -0.6329000       3.432300      0.2649000    
 C   -2.960900     -0.1701000       1.581200    
 C    4.181200       1.940000     -0.4339000    
 C   -7.125300     -0.1582000     -1.2500000E-02
 C   -7.102200      -2.556100     -0.1622000    
 C    5.319300      -2.962700      0.2497000    
 C    7.470800      -1.896600      0.1662000    
 H  -0.7096000       1.012400       1.315900    
 H  -0.3389000      9.8099999E-02 -0.1558000    
 H    1.459600       2.154900       1.303300    
 H    1.868200       3.020700     -0.1871000    
 H   -2.147100       1.098300      -1.418200    
 H   -2.722800       1.966900      1.2000000E-02
 H    1.945100      0.8200000      -1.434600    
 H    1.561100     -3.2400001E-02  7.1800001E-02
 H   -4.234800     -7.7500001E-02  -1.523500    
 H   -4.774700      0.8238000     -0.1011000    
 H    4.036600     -0.5341000      -1.464600    
 H    3.429000      -1.273000      2.4599999E-02
 H   -5.115800      -1.434500       1.105600    
 H   -4.506500      -2.231700     -0.3506000    
 H    5.481500     -0.4720000       1.259100    
 H    6.099900      0.2278000     -0.2446000    
 H   9.9999998E-03   4.297000      5.8600001E-02
 H  -0.8146000       3.407300       1.345600    
 H   -1.569500       3.656300     -0.2542000    
 H   -1.967900     -0.2523000       2.029200    
 H   -3.429600      -1.083200       1.956000    
 H   -3.472200      0.6922000       2.024600    
 H    3.806500       2.893900     -5.4200001E-02
 H    4.183100       1.978300      -1.529500    
 H    5.217000       1.959700     -8.5800000E-02
 H   -6.793800      0.7692000     -0.4888000    
 H   -7.057000     -5.2900001E-02   1.076500    
 H   -8.189300     -0.2356000     -0.2688000    
 H   -8.101800      -2.569800     -0.6109000    
 H   -7.209400      -2.678700      0.9218000    
 H   -6.572200      -3.429900     -0.5578000    
 H    4.365700      -3.093100     -0.2707000    
 H    5.139000      -2.893100       1.328700    
 H    5.865800      -3.896100      6.6000000E-02
 H    8.050800      -1.064100     -0.2477000    
 H    7.940400      -2.815300     -0.2027000    
 H    7.565600      -1.874700       1.258100    


%chk=000076510-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000076510

0 1
N 0.072713 2.833223 0.261269
N -3.043441 0.681653 0.816939
N 3.380343 0.966456 -0.142963
N -5.298071 -2.128512 -0.475119
N 5.302440 -2.306319 -0.598788
C -0.821303 1.857582 0.934301
C 1.516797 2.554871 0.463477
C -2.122298 1.624886 0.131986
C 2.002699 1.416141 -0.462363
C -3.956867 -0.032899 -0.112063
C 3.722956 -0.346061 -0.751186
C -4.399942 -1.400308 0.455301
C 4.772951 -1.104541 0.091573
C -0.294107 4.233191 0.555638
C -3.771674 1.323453 1.933439
C 4.392315 2.002309 -0.442637
C -6.673847 -1.589881 -0.495587
C -5.294596 -3.585844 -0.232316
C 4.288940 -3.365251 -0.782498
C 6.517456 -2.828585 0.059083
H -1.056698 2.183471 1.977677
H -0.304860 0.885830 1.021589
H 1.762273 2.282343 1.519057
H 2.070449 3.483866 0.232186
H -1.834370 1.195424 -0.843647
H -2.617693 2.606054 -0.082736
H 1.896381 1.758715 -1.522692
H 1.328168 0.549021 -0.335274
H -3.421036 -0.229826 -1.057203
H -4.849897 0.590763 -0.369723
H 4.113535 -0.247156 -1.793771
H 2.793071 -0.941187 -0.807553
H -4.872158 -1.272839 1.463329
H -3.486496 -2.003315 0.606212
H 4.321133 -1.348183 1.086880
H 5.629252 -0.431928 0.286373
H 0.312821 4.917933 -0.063317
H -0.149055 4.514140 1.630444
H -1.355326 4.406656 0.304278
H -3.059994 1.763163 2.652677
H -4.374392 0.576582 2.477503
H -4.459656 2.137158 1.585528
H 4.228867 2.895956 0.183864
H 4.377927 2.319818 -1.516746
H 5.402818 1.622338 -0.215392
H -6.664879 -0.519756 -0.762846
H -7.199851 -1.696687 0.489070
H -7.268603 -2.122910 -1.259178
H -5.907138 -4.090810 -1.001506
H -5.701644 -3.872514 0.771771
H -4.263714 -3.974583 -0.307270
H 3.448942 -2.993819 -1.393526
H 3.872505 -3.747960 0.185596
H 4.741529 -4.217570 -1.320424
H 7.283990 -2.034624 0.109867
H 6.931195 -3.665228 -0.532852
H 6.336539 -3.201103 1.100470


