%chk=000056038.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056038

1 1
 S    2.523700       1.344100      0.8500000    
 N   -5.049600     -2.6699999E-02 -0.1167000    
 N    3.984900     -0.8299000      0.2974000    
 N    5.102100       1.298700      0.1316000    
 C   -3.702300     -0.5963000     -0.3596000    
 C   -6.141200     -0.9408000     -0.6914000    
 C   -5.186900       1.352300     -0.7776000    
 C   -5.310200      0.1382000       1.387400    
 C   -2.652600      0.3389000      0.2246000    
 C   -1.241600     -0.1886000     -4.3900002E-02
 C   -6.081700      -2.284400      1.7000000E-03
 C   -4.934800       1.220000      -2.263600    
 C   -6.706700      0.6825000       1.594500    
 C  -0.1358000      0.7277000      0.4921000    
 C    1.267900      0.2062000      0.1943000    
 C    4.035400      0.5135000      0.3747000    
 C    5.141400      -1.423300     -6.4300001E-02
 C    6.224300      0.6401000     -0.2250000    
 C    6.303800     -0.7328000     -0.3400000    
 C    5.129300      -2.911800     -0.1623000    
 C    7.430500       1.472400     -0.5038000    
 H   -3.554700     -0.8043000      -1.423300    
 H   -3.615700      -1.547800      0.1739000    
 H   -5.910900      -1.120900      -1.745800    
 H   -7.121400     -0.4605000     -0.6444000    
 H   -6.220100       1.693200     -0.6717000    
 H   -4.541100       2.083200     -0.2852000    
 H   -5.123200     -0.8040000       1.909100    
 H   -4.617700      0.8877000       1.780800    
 H   -2.741400      0.4365000       1.310000    
 H   -2.692200       1.340400     -0.2100000    
 H   -1.104000     -0.3153000      -1.125200    
 H   -1.133000      -1.182700      0.4075000    
 H   -5.141800      -2.821900     -0.1405000    
 H   -6.325000      -2.250000       1.065700    
 H   -6.849100      -2.928200     -0.4470000    
 H   -3.916200      0.9132000      -2.512700    
 H   -5.647600      0.5810000      -2.788400    
 H   -5.054500       2.213000      -2.715500    
 H   -6.874000       1.682500       1.190200    
 H   -7.509300      1.3700000E-02   1.278000    
 H   -6.855000      0.7971000       2.676700    
 H  -0.2607000       1.723900      4.8300002E-02
 H  -0.2684000      0.8400000       1.575900    
 H    1.391300     -0.7796000      0.6550000    
 H    1.409200      0.1013000     -0.8866000    
 H    7.218900      -1.235500     -0.6285000    
 H    5.853100      -3.345300      0.5351000    
 H    4.141000      -3.314100      8.3400004E-02
 H    5.378900      -3.228500      -1.180000    
 H    7.766700       1.322400      -1.534700    
 H    7.212900       2.537400     -0.3715000    
 H    8.243000       1.206600      0.1799000    


%chk=000056038-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000056038

1 1
S 2.624754 1.565365 0.245249
N -5.182281 -0.017334 -0.062223
N 4.030748 -0.757237 -0.200619
N 5.291018 1.297729 0.182071
C -3.715891 -0.510466 -0.213517
C -6.140016 -1.122853 -0.583100
C -5.421593 1.277196 -0.884587
C -5.448926 0.287733 1.437194
C -2.614620 0.523377 0.076984
C -1.218334 -0.134050 -0.089190
C -6.126562 -2.438093 0.205317
C -5.087981 1.187791 -2.378895
C -6.891116 0.668047 1.795048
C -0.076548 0.885895 0.136958
C 1.307487 0.230818 -0.010950
C 4.143705 0.571885 0.050173
C 5.212160 -1.452446 -0.336293
C 6.465107 0.607621 0.047577
C 6.454501 -0.791159 -0.216091
C 5.095566 -2.930545 -0.615822
C 7.749022 1.387621 0.192824
H -3.622444 -0.887914 -1.246488
H -3.613027 -1.369404 0.470778
H -5.848471 -1.304291 -1.630242
H -7.149081 -0.678223 -0.584844
H -6.485407 1.530206 -0.747040
H -4.819475 2.062199 -0.398074
H -5.134267 -0.611907 1.991571
H -4.760881 1.106196 1.704101
H -2.693019 0.919176 1.106878
H -2.682074 1.383610 -0.615071
H -1.126091 -0.567816 -1.105755
H -1.111968 -0.973283 0.627520
H -5.147404 -2.943915 0.187602
H -6.450895 -2.320189 1.252443
H -6.846350 -3.122398 -0.277803
H -4.027544 0.957740 -2.572752
H -5.717545 0.465466 -2.923842
H -5.286999 2.179357 -2.822780
H -7.230306 1.596077 1.306474
H -7.617513 -0.134368 1.585073
H -6.924535 0.852983 2.883403
H -0.174479 1.716165 -0.590771
H -0.170028 1.331178 1.147517
H 1.479539 -0.559055 0.737745
H 1.460028 -0.203795 -1.012212
H 7.391949 -1.342905 -0.323922
H 6.084599 -3.407572 -0.707343
H 4.533508 -3.429363 0.194095
H 4.531537 -3.099377 -1.550769
H 8.384748 1.277411 -0.704726
H 7.524235 2.453782 0.344853
H 8.337358 1.021833 1.054873


