%chk=000170601.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170601

0 1
 N    2.151400       1.430600     -0.2622000    
 N  -0.4595000      0.5636000      0.6639000    
 N    5.887700       1.362300     -0.2574000    
 N   -4.852800      0.5333000     -0.4179000    
 C    1.996200      0.1844000      0.5357000    
 C   0.5876000     -0.4175000      0.3554000    
 C    3.054700     -0.8876000      0.1351000    
 C    1.068500       2.381900      2.2299999E-02
 C    3.464300       2.084800     -3.7599999E-02
 C    4.403900     -0.2789000     -1.5000000E-02
 C  -0.3073000       1.747500     -0.1878000    
 C    4.560000       1.084300     -0.1147000    
 C   -1.786800     -2.6300000E-02  0.4973000    
 C    5.694500     -0.8659000     -0.1098000    
 C    6.607300      0.1850000     -0.2603000    
 C   -2.879800      0.9563000      0.9193000    
 C    6.181800      -2.188100     -8.5400000E-02
 C    7.985200     -2.6699999E-02 -0.3839000    
 C   -4.253600      0.3519000      0.7735000    
 C    7.557600      -2.412200     -0.2089000    
 C    8.443500      -1.346800     -0.3553000    
 C   -4.793400     -0.3274000       1.837100    
 C   -6.081200      7.7999998E-03 -0.5853000    
 C   -6.059200     -0.8677000       1.661600    
 C   -6.730200     -0.7096000      0.4413000    
 C   -6.748200      0.1646000      -1.797200    
 C   -8.012700      -1.244400      0.2319000    
 C   -8.023200     -0.3670000      -2.005700    
 C   -8.656500      -1.072500     -0.9900000    
 H    2.136700      0.4299000       1.599500    
 H   0.4681000     -0.7935000     -0.6704000    
 H   0.4908000      -1.278500       1.028900    
 H    2.780500      -1.352900     -0.8204000    
 H    3.079100      -1.678900      0.8935000    
 H    1.156200       3.246600     -0.6469000    
 H    1.142400       2.758200       1.051900    
 H    3.497600       2.563000      0.9498000    
 H    3.617100       2.860100     -0.7975000    
 H   -1.026100       2.530800      6.7199998E-02
 H  -0.4488000       1.497700      -1.247900    
 H   -1.949300     -0.3496000     -0.5401000    
 H   -1.864700     -0.9255000       1.122600    
 H    6.288200       2.286300     -0.3451000    
 H   -2.885300       1.859200      0.3002000    
 H   -2.725400       1.289800       1.953600    
 H    5.503400      -3.028800      2.8300000E-02
 H    8.676700      0.8014000     -0.4991000    
 H    7.938100      -3.430000     -0.1900000    
 H    9.508400      -1.544100     -0.4495000    
 H   -4.268000     -0.4474000       2.777600    
 H   -6.519600      -1.413500       2.482000    
 H   -6.273500      0.7132000      -2.608800    
 H   -8.517400      -1.798300       1.020500    
 H   -8.518200     -0.2281000      -2.962300    
 H   -9.647300      -1.487200      -1.148200    


%chk=000170601-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170601

0 1
N 2.230188 1.482754 -0.386617
N -0.464561 0.682060 0.379329
N 6.014021 1.369795 -0.140042
N -5.021185 0.657610 -0.274117
C 2.004467 0.220795 0.387479
C 0.589828 -0.318245 0.089685
C 3.051669 -0.862664 0.015316
C 1.147717 2.471254 -0.150287
C 3.547524 2.123422 -0.118301
C 4.437445 -0.278611 -0.024746
C -0.233811 1.883033 -0.460092
C 4.636601 1.093016 -0.104894
C -1.826913 0.116444 0.235037
C 5.745686 -0.903464 -0.017985
C 6.721000 0.158801 -0.088041
C -2.910971 0.993070 0.920198
C 6.199045 -2.247157 0.042335
C 8.109310 -0.091511 -0.099361
C -4.279596 0.349654 0.813243
C 7.585176 -2.502916 0.032091
C 8.530074 -1.437397 -0.038017
C -4.730801 -0.580281 1.816212
C -6.262736 0.049392 -0.424404
C -5.973611 -1.196185 1.679187
C -6.788452 -0.897786 0.538113
C -7.046950 0.377909 -1.575985
C -8.076363 -1.483371 0.316582
C -8.300614 -0.209367 -1.768386
C -8.819738 -1.146037 -0.817375
H 2.072743 0.429141 1.486296
H 0.561688 -0.641769 -0.982975
H 0.416483 -1.211058 0.719655
H 2.787002 -1.296167 -0.971296
H 2.985909 -1.684587 0.755937
H 1.330770 3.346997 -0.802740
H 1.149176 2.827245 0.911901
H 3.538011 2.673253 0.862768
H 3.723086 2.885582 -0.905667
H -1.004064 2.642649 -0.239883
H -0.294792 1.633458 -1.549605
H -2.112396 -0.030771 -0.836615
H -1.826273 -0.883524 0.710936
H 6.431658 2.295396 -0.204206
H -2.957802 1.981628 0.431986
H -2.621061 1.137430 1.976697
H 5.482483 -3.074972 0.094017
H 8.840834 0.722960 -0.153734
H 7.947892 -3.535978 0.078024
H 9.601434 -1.667680 -0.044831
H -4.089940 -0.786021 2.680049
H -6.337841 -1.903483 2.433887
H -6.628699 1.096291 -2.287824
H -8.470624 -2.199746 1.047870
H -8.895234 0.045506 -2.652624
H -9.804389 -1.596195 -0.984779


