%chk=000042876.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042876

0 1
 N    1.469600     -0.9499000      -1.180400    
 N   -1.241200     -0.2880000     -0.5198000    
 N    5.041900      0.4101000      0.5393000    
 N   -5.156400      0.6893000      0.6133000    
 C    2.680900     -0.4888000     -0.5972000    
 C   -2.527900      3.3100002E-02 -0.1476000    
 C   0.6139000      -1.884600     -0.5304000    
 C  -0.8382000      -1.630600     -0.9238000    
 C    3.284500      -1.229200      0.4243000    
 C   -3.628800     -0.7847000     -0.5191000    
 C    3.259100      0.7016000      -1.049900    
 C   -2.804200       1.194700      0.6226000    
 C    4.480900     -0.7358000      0.9716000    
 C   -4.924400     -0.4185000     -0.1171000    
 C    4.456500       1.119400     -0.4449000    
 C   -4.132100       1.483400      0.9800000    
 C    2.725500      -2.428800      0.8986000    
 C   -3.421300      -1.947800      -1.281000    
 C    2.674400       1.465600      -2.074800    
 C   -1.758200       2.044800       1.021900    
 C    5.086500      -1.468500       1.988900    
 C   -5.983700      -1.238900     -0.4957000    
 C    5.037000       2.303700     -0.8912000    
 C   -4.372700       2.628400       1.735000    
 C    3.351000      -3.142500       1.916600    
 C   -4.497500      -2.750900      -1.646400    
 C    3.274900       2.645800      -2.502900    
 C   -2.025400       3.183300       1.776400    
 C    4.533900      -2.661000       2.462600    
 C   -5.781200      -2.395400      -1.252800    
 C    4.458600       3.065400      -1.909600    
 C   -3.335600       3.475300       2.133400    
 H   0.8116000      -2.902900     -0.8850000    
 H   0.5704000      -1.750600      0.5574000    
 H  -0.8626000      -1.718100      -2.016700    
 H   -1.356800      -2.419400     -0.3665000    
 H    1.215500     -0.6232000      -2.103100    
 H  -0.5226000      0.4235000     -0.5229000    
 H    1.977300      -3.066100      0.4800000    
 H   -2.577400      -2.262000      -1.854800    
 H    1.744400       1.189300      -2.561500    
 H  -0.7171000       1.856600      0.7792000    
 H    6.015500      -1.113400       2.431500    
 H   -6.999400     -0.9804000     -0.2017000    
 H    5.964600       2.653800     -0.4420000    
 H   -5.390900       2.878800       2.027500    
 H    2.946800      -4.092800       2.253500    
 H   -4.346100      -3.624500      -2.274000    
 H    2.820100       3.236100      -3.292500    
 H   -1.215800       3.837000       2.085900    
 H    5.036000      -3.215800       3.249900    
 H   -6.629300      -3.009100      -1.542000    
 H    4.935000       3.985300      -2.235500    
 H   -3.555100       4.360900       2.722600    


%chk=000042876-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042876

0 1
N 1.674762 -1.566393 -1.303356
N -1.094529 -0.659512 -1.017531
N 4.266906 1.017845 0.964415
N -4.687510 0.803054 0.840519
C 2.550055 -0.756119 -0.565028
C -2.282169 -0.177770 -0.464461
C 0.615369 -2.439777 -0.762359
C -0.767678 -2.055940 -1.345688
C 3.173158 -1.207691 0.648089
C -3.572323 -0.718831 -0.801284
C 2.852616 0.570945 -1.041925
C -2.221909 0.923960 0.468529
C 3.989441 -0.253389 1.395594
C -4.736625 -0.213358 -0.076568
C 3.740585 1.405512 -0.241020
C -3.464866 1.380216 1.076445
C 3.096608 -2.561754 1.133381
C -3.796128 -1.679207 -1.851798
C 2.299439 1.125486 -2.249277
C -0.997910 1.576892 0.848594
C 4.579448 -0.669486 2.641772
C -6.030129 -0.783482 -0.355503
C 4.069627 2.724364 -0.714840
C -3.423252 2.482039 2.001712
C 3.711579 -2.937066 2.325091
C -5.068243 -2.180077 -2.119467
C 2.636922 2.409561 -2.675430
C -0.994184 2.642795 1.747375
C 4.437506 -1.973447 3.103885
C -6.195716 -1.748902 -1.342671
C 3.540618 3.214691 -1.904853
C -2.222205 3.105195 2.326516
H 0.806472 -3.508254 -0.993184
H 0.590007 -2.326234 0.333858
H -0.756841 -2.230721 -2.444440
H -1.528937 -2.729404 -0.915174
H 1.602719 -1.364967 -2.302584
H -0.270691 -0.066604 -0.895612
H 2.589343 -3.323315 0.535072
H -2.965637 -1.990559 -2.490724
H 1.590124 0.549341 -2.856760
H -0.030684 1.250893 0.445911
H 5.159024 0.081549 3.187072
H -6.871287 -0.399768 0.229988
H 4.749126 3.315557 -0.093368
H -4.378419 2.798651 2.431791
H 3.655733 -3.976900 2.664968
H -5.213295 -2.894913 -2.936926
H 2.201172 2.812499 -3.595999
H -0.047916 3.122710 2.018887
H 4.900625 -2.278112 4.048737
H -7.188634 -2.163279 -1.549731
H 3.800169 4.220455 -2.252519
H -2.207038 3.944021 3.031080


