%chk=000080149.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080149

0 1
 N    4.021100     -2.0999999E-03  0.2849000    
 N   -4.021900      1.2700000E-02  0.2850000    
 N   1.1000000E-03 -3.0099999E-02  -1.350300    
 C    2.350500     -0.7187000      -1.398100    
 C   -2.345700      0.6747000      -1.414800    
 C    3.594100      -1.089500     -0.5872000    
 C   -3.586800       1.074800     -0.6139000    
 C    1.151700     -0.3558000     -0.5200000    
 C   -1.149700      0.3254000     -0.5273000    
 C    5.175200     -0.4085000       1.088900    
 C    4.344000       1.191300     -0.4993000    
 C   -5.173200      0.4473000       1.078000    
 C   -4.353300      -1.197600     -0.4693000    
 C    4.862200      -1.646600       1.911800    
 C    4.727100       2.353100      0.4016000    
 C   -4.851500       1.703400       1.869800    
 C   -4.744900      -2.333700      0.4603000    
 H    2.556900      6.8700001E-02  -2.131600    
 H    2.083200      -1.598000      -2.001500    
 H   -2.559700     -0.1288000      -2.128200    
 H   -2.069900       1.535800      -2.040100    
 H    4.396100      -1.387300      -1.275500    
 H    3.315900      -1.979400     -1.2900000E-02
 H   -4.386500       1.361200      -1.309700    
 H   -3.302200       1.976700     -6.1799999E-02
 H    1.398300      0.5061000      0.1100000    
 H   0.9182000      -1.199500      0.1411000    
 H   -1.400100     -0.5136000      0.1320000    
 H  -0.9081000       1.189100      0.1040000    
 H  -0.2325000     -0.8246000      -1.945200    
 H    5.432900      0.3706000       1.813600    
 H    6.062100     -0.5929000      0.4696000    
 H    3.473100       1.543200      -1.059400    
 H    5.146800       1.001900      -1.223000    
 H   -5.436600     -0.3114000       1.822000    
 H   -6.058600      0.6226000      0.4540000    
 H   -3.484600      -1.569800      -1.019900    
 H   -5.154400      -1.020600      -1.198000    
 H    5.634900      -1.780600       2.677700    
 H    4.862800      -2.561200       1.310800    
 H    3.902200      -1.559200       2.432400    
 H    4.737000       3.281300     -0.1812000    
 H    5.730100       2.242200      0.8250000    
 H    4.008500       2.488800       1.217200    
 H   -5.623400       1.862100       2.631700    
 H   -4.845400       2.602700       1.246200    
 H   -3.892300       1.622200       2.392800    
 H   -4.761300      -3.276100     -9.9100001E-02
 H   -5.747200      -2.205200      0.8802000    
 H   -4.027500      -2.454100       1.279300    


%chk=000080149-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000080149

0 1
N 4.193593 0.107966 0.146152
N -4.219256 -0.086936 0.119550
N 0.011229 -0.129425 -1.307725
C 2.405118 -0.801246 -1.406800
C -2.353512 0.634534 -1.442117
C 3.701270 -1.075129 -0.612242
C -3.627779 1.033593 -0.664928
C 1.219252 -0.416661 -0.503165
C -1.166335 0.304192 -0.518592
C 5.041812 -0.276675 1.307347
C 4.858636 1.105956 -0.736419
C -4.968708 0.383828 1.316223
C -5.021028 -1.006864 -0.732107
C 4.226954 -0.816102 2.498958
C 4.863489 2.528296 -0.143425
C -4.045942 0.819975 2.470739
C -5.134203 -2.426996 -0.144736
H 2.554366 0.005513 -2.149322
H 2.156476 -1.716820 -1.985408
H -2.568977 -0.240537 -2.090485
H -2.062956 1.461375 -2.119214
H 4.487377 -1.465332 -1.309228
H 3.498622 -1.883673 0.114853
H -4.376719 1.465689 -1.376432
H -3.364309 1.844807 0.039472
H 1.489740 0.492085 0.065733
H 1.056199 -1.227710 0.254941
H -1.497297 -0.450400 0.234893
H -0.875050 1.214528 0.044635
H -0.230976 -0.931815 -1.909364
H 5.587764 0.625079 1.639074
H 5.820840 -1.026008 1.010352
H 4.306771 1.130430 -1.693406
H 5.906284 0.793536 -0.984520
H -5.599098 -0.452073 1.670777
H -5.669733 1.218447 1.055212
H -4.521672 -1.074687 -1.716263
H -6.044262 -0.593183 -0.927763
H 4.894557 -1.047254 3.350304
H 3.679553 -1.741411 2.243422
H 3.486805 -0.063370 2.821976
H 5.333333 3.238879 -0.849160
H 5.425809 2.581174 0.806544
H 3.828863 2.858079 0.055053
H -4.644115 1.130959 3.347882
H -3.401757 1.671765 2.186525
H -3.389109 -0.016582 2.766407
H -5.702179 -3.085438 -0.828650
H -5.653734 -2.431615 0.830593
H -4.127307 -2.853743 0.006450


