%chk=000053313.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053313

0 1
 N   -1.059900      1.8000000E-03   1.012000    
 N    2.874600     -2.7000001E-03 -0.4333000    
 N   -4.717500      2.3000001E-03  0.5239000    
 C   0.2743000      3.9999999E-04  0.5218000    
 C   0.9265000       1.214300      0.2828000    
 C   0.9236000      -1.215000      0.2829000    
 C    2.244600       1.165200     -0.2015000    
 C    2.241900      -1.169100     -0.2013000    
 C   0.2982000       2.450400      0.5142000    
 C   0.2924000      -2.449600      0.5145000    
 C    2.899200       2.370400     -0.4414000    
 C    2.893700      -2.375800     -0.4411000    
 C   -2.302300      2.4000001E-03  0.3646000    
 C   0.9746000       3.641000      0.2663000    
 C   0.9661000      -3.642000      0.2665000    
 C    2.277800       3.600600     -0.2125000    
 C    2.269400      -3.604500     -0.2123000    
 C   -2.390600      2.4999999E-03  -1.024900    
 C   -3.487700      2.4999999E-03   1.085200    
 C   -3.638000      2.4999999E-03  -1.639200    
 C   -4.760900      2.3000001E-03 -0.8273000    
 H   -1.105400      4.1000000E-03   2.026800    
 H  -0.7183000       2.518200      0.8928000    
 H  -0.7242000      -2.515200      0.8932000    
 H    3.921000       2.365200     -0.8167000    
 H    3.915500      -2.373000     -0.8164000    
 H   0.4876000       4.594400      0.4469000    
 H   0.4768000      -4.594200      0.4472000    
 H    2.814800       4.523900     -0.4090000    
 H    2.804200      -4.529000     -0.4088000    
 H   -1.501600      2.4999999E-03  -1.649400    
 H   -3.488000      2.3000001E-03   2.171300    
 H   -3.728700      2.4999999E-03  -2.719400    
 H   -5.757100      2.2000000E-03  -1.257300    


%chk=000053313-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000053313

0 1
N -1.153132 -0.438512 0.917511
N 2.924600 -0.068589 -0.430445
N -4.780841 0.270812 0.554337
C 0.175467 -0.291181 0.444947
C 0.733720 0.990335 0.132982
C 1.004527 -1.455950 0.343128
C 2.115952 1.034821 -0.340103
C 2.392492 -1.280004 -0.073500
C 0.031869 2.233215 0.316697
C 0.531379 -2.788526 0.609851
C 2.689429 2.307158 -0.695596
C 3.251068 -2.433342 -0.139344
C -2.345822 0.026747 0.322375
C 0.629565 3.446469 -0.014104
C 1.390216 -3.882711 0.528496
C 1.964392 3.484375 -0.545775
C 2.768200 -3.702279 0.164321
C -2.408179 0.587195 -0.983299
C -3.571530 -0.110100 1.040705
C -3.661711 0.989352 -1.487541
C -4.821594 0.821469 -0.696338
H -1.281479 -1.108951 1.678782
H -0.978515 2.223295 0.734152
H -0.525512 -2.955241 0.847273
H 3.718696 2.299325 -1.066871
H 4.288484 -2.261944 -0.442146
H 0.082819 4.382988 0.140319
H 1.011716 -4.891122 0.727803
H 2.413179 4.447329 -0.812773
H 3.430981 -4.572738 0.110702
H -1.503403 0.695785 -1.587790
H -3.572419 -0.545939 2.049714
H -3.739239 1.422665 -2.489919
H -5.808776 1.127594 -1.057449


