%chk=000023037.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023037

0 1
 N    2.496300       1.528900      2.5599999E-02
 N    4.511000      -2.831600     -3.5399999E-02
 N   -5.218200      -1.836900     -3.0200001E-02
 N   0.6654000       5.969700      9.0200000E-02
 C  -4.2199999E-02  0.4202000      5.4000001E-03
 C    1.079400     -0.4154000     -5.2999998E-03
 C   0.1069000       1.810500      2.6300000E-02
 C    2.347200      0.1902000      5.7000001E-03
 C   -1.381100     -0.1647000     -4.0000002E-03
 C    1.412800       2.329100      3.5900000E-02
 C   0.9590000      -1.815900     -2.6100000E-02
 C    3.351800      -2.028300     -2.5400000E-02
 C    3.467700     -0.6362000     -4.8000002E-03
 C   -1.002500       2.673900      3.7500001E-02
 C    2.095000      -2.619700     -3.6100000E-02
 C   -2.006200     -0.4199000      -1.216100    
 C   -2.007800     -0.4550000       1.199600    
 C    1.567600       3.712600      5.6699999E-02
 C   -3.925200      -1.273400     -2.1600001E-02
 C   0.4673000       4.573500      6.8000004E-02
 C  -0.8205000       4.053500      5.8400001E-02
 C   -3.284900     -0.9771000      -1.225000    
 C   -3.286500      -1.012200       1.190800    
 C    4.496800      -4.148300      0.5702000    
 C    5.727700      -2.356400     -0.6638000    
 C   -6.140200      -1.541500      -1.108800    
 C   -5.636700      -2.729700       1.032100    
 H  -2.4000001E-03  -2.321800     -3.7700001E-02
 H    4.448400     -0.1642000      1.6600000E-02
 H   -2.027200       2.312700      3.0700000E-02
 H    1.964900      -3.697400     -6.4099997E-02
 H   -1.518100     -0.1964000      -2.161400    
 H   -1.523100     -0.2542000       2.151600    
 H    2.573100       4.132200      6.4700000E-02
 H   -1.687600       4.708400      6.7000002E-02
 H   -3.749200      -1.178900      -2.186100    
 H   -3.762000      -1.219800       2.145200    
 H    5.514200      -4.496200      0.7823000    
 H    3.960100      -4.144900       1.525700    
 H    4.031900      -4.878800     -0.1000000    
 H    5.518400      -1.850000      -1.612800    
 H    6.404100      -3.187500     -0.8934000    
 H    6.264200      -1.669600     -7.9999998E-04
 H   -5.913000      -2.149200      -1.990900    
 H   -6.108600     -0.4814000      -1.385000    
 H   -7.173400      -1.759200     -0.8156000    
 H   -6.499000      -3.332300      0.7254000    
 H   -5.931200      -2.163000       1.921600    
 H   -4.840800      -3.433100       1.301800    
 H    1.603200       6.348200      9.5600002E-02
 H  -0.1303000       6.593800      9.6799999E-02


%chk=000023037-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000023037

0 1
N 2.587109 1.563176 -0.080467
N 4.632743 -2.834754 0.075905
N -5.387298 -1.901348 0.047542
N 0.776516 6.055484 -0.225243
C -0.083589 0.416428 -0.033350
C 1.076751 -0.419294 -0.012391
C 0.107031 1.833214 -0.077923
C 2.400854 0.202258 -0.023174
C -1.456133 -0.176065 -0.010582
C 1.472372 2.363651 -0.113950
C 1.023074 -1.856946 -0.020833
C 3.489350 -2.028268 0.036253
C 3.570524 -0.620448 0.012339
C -0.977927 2.779895 -0.050349
C 2.171140 -2.635790 0.003483
C -2.373717 0.033089 -1.074877
C -1.898376 -0.977607 1.075772
C 1.675275 3.779777 -0.171126
C -4.106395 -1.336481 0.030133
C 0.593776 4.672662 -0.170158
C -0.752813 4.148360 -0.095068
C -3.662401 -0.531534 -1.067571
C -3.186945 -1.541247 1.108483
C 4.522441 -4.298206 0.106627
C 5.956646 -2.202693 0.090738
C -6.308089 -1.666304 -1.070173
C -5.803985 -2.740003 1.176853
H 0.045500 -2.347892 -0.064376
H 4.525220 -0.090036 0.010700
H -2.003354 2.404322 0.024540
H 2.072021 -3.724992 -0.014412
H -2.060007 0.632424 -1.937528
H -1.222697 -1.144940 1.922623
H 2.711474 4.132996 -0.205382
H -1.597731 4.848099 -0.064091
H -4.320646 -0.350214 -1.921965
H -3.477642 -2.137690 1.977924
H 5.531509 -4.736632 0.164296
H 3.950280 -4.653056 0.987881
H 4.032320 -4.700647 -0.803637
H 6.122954 -1.583061 -0.814147
H 6.737669 -2.978977 0.123369
H 6.084863 -1.545550 0.975199
H -5.905452 -2.056040 -2.028217
H -6.522885 -0.586517 -1.207305
H -7.263419 -2.177816 -0.872279
H -6.827572 -3.108027 1.002715
H -5.803539 -2.178017 2.133759
H -5.142140 -3.621786 1.301220
H 1.710194 6.453183 -0.266529
H -0.018353 6.687158 -0.214250


