%chk=000044321.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044321

0 1
 N   0.3656000       2.506900     -6.9999998E-04
 C   -2.379500      2.9000000E-03  3.9999999E-04
 C   -1.045000      0.5502000       0.000000    
 C    1.438900      0.3468000     -1.9999999E-04
 C   -2.676700      -1.383200      5.0000002E-04
 C  -0.8520000       1.940300     -3.9999999E-04
 C   -3.483100      0.8898000      5.0000002E-04
 C   0.1423000     -0.2187000       0.000000    
 C    1.474700       1.749800     -5.0000002E-04
 C    2.666600     -0.4104000     -9.9999997E-05
 C   -1.685600      -2.504400     -1.1000000E-03
 C   -1.959800       2.772300     -3.9999999E-04
 C   -3.257000       2.266200       0.000000    
 C    3.899900      0.2852000      9.9999997E-05
 C   -3.989800      -1.861700      8.9999998E-04
 C   -4.799900      0.3978000      6.0000003E-04
 C    2.703100       2.390400     -3.9999999E-04
 C    3.900600       1.679900      9.9999997E-05
 C   -5.052000     -0.9704000      7.9999998E-04
 C    2.734300      -1.826500      9.9999997E-05
 C   -2.362000      -3.870700     -1.9000000E-03
 C    5.119000     -0.4146000      6.0000003E-04
 C    3.952200      -2.512200      3.9999999E-04
 C    5.145200      -1.805600      6.0000003E-04
 H   0.1454000      -1.284900      6.0000003E-04
 H   -1.082500      -2.473000     -0.9148000    
 H   -1.081800      -2.474800      0.9122000    
 H   -1.826400       3.853100     -7.9999998E-04
 H   -4.088900       2.967700     -9.9999997E-05
 H   -4.328400      -2.887800      1.2000001E-03
 H   -5.646100       1.082300      5.0000002E-04
 H    2.747300       3.478300     -3.9999999E-04
 H    4.835600       2.236800      3.0000001E-04
 H   -6.075500      -1.333800      1.0000000E-03
 H    1.835700      -2.437400     -9.9999997E-05
 H   -2.942600      -4.073100      0.9061000    
 H   -1.571600      -4.633600     -3.3000000E-03
 H   -2.944100      -4.071400     -0.9093000    
 H    6.065400      0.1231000      8.9999998E-04
 H    3.962400      -3.598200      5.0000002E-04
 H    6.093800      -2.333700      1.0000000E-03


%chk=000044321-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044321

0 1
N 0.370886 2.565527 -0.000529
C -2.413860 -0.059893 0.000130
C -1.038620 0.498525 0.000011
C 1.451385 0.355365 0.000079
C -2.774321 -1.470618 -0.000122
C -0.852122 1.951312 -0.000273
C -3.506872 0.897956 0.000458
C 0.170518 -0.250105 0.000304
C 1.502371 1.799371 -0.000420
C 2.705111 -0.406889 0.000318
C -1.752791 -2.615365 -0.001023
C -1.988426 2.839247 -0.000161
C -3.261431 2.325263 0.000304
C 3.955499 0.313223 0.000021
C -4.139820 -1.830659 0.000304
C -4.867966 0.476501 0.000861
C 2.777633 2.481534 -0.000722
C 3.955229 1.763239 -0.000510
C -5.189116 -0.880358 0.000868
C 2.752452 -1.833747 0.000808
C -2.310244 -4.054363 -0.002372
C 5.187436 -0.407842 0.000240
C 3.973858 -2.524363 0.001021
C 5.203932 -1.808745 0.000740
H 0.136068 -1.332558 0.000814
H -1.097793 -2.510538 -0.889695
H -1.097958 -2.512161 0.887972
H -1.780278 3.912443 -0.000362
H -4.131804 2.991853 0.000504
H -4.407679 -2.889907 0.000163
H -5.653677 1.240605 0.001136
H 2.758099 3.575221 -0.001100
H 4.921659 2.281316 -0.000729
H -6.232177 -1.213711 0.001210
H 1.824510 -2.415202 0.001024
H -2.922748 -4.262981 0.893259
H -1.469540 -4.771865 -0.003193
H -2.922988 -4.261160 -0.898258
H 6.127757 0.156272 0.000008
H 3.980765 -3.619807 0.001401
H 6.154764 -2.352240 0.000910


