%chk=000114327.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114327

0 1
 S    1.907800       3.122600     -0.1483000    
 N    1.184800      0.1330000     -0.6012000    
 N  -5.5500001E-02  -4.533600      0.2811000    
 C   -3.721100      0.8697000     -0.2057000    
 C   -2.328700       1.405000     -0.1895000    
 C   -3.960800     -0.2506000      0.8792000    
 C   8.6900003E-02   1.007900     -0.4023000    
 C   -4.026800      0.2130000      -1.593300    
 C   -4.854100       1.936600     -1.5699999E-02
 C   -1.247000      0.5447000     -0.3974000    
 C   0.9090000      -1.166800      -1.226600    
 C   0.2873000       2.382000     -0.1637000    
 C   -2.107500       2.756600      2.6300000E-02
 C    2.516000      0.3875000     -0.1847000    
 C   0.5534000      -2.202900     -0.1586000    
 C   -3.676700      0.1870000       2.313300    
 C  -0.8049000       3.244000      4.0199999E-02
 C    2.957200       1.700100      7.5300001E-02
 C   0.2740000      -3.581600     -0.7529000    
 C    3.446600     -0.6541000      2.3000000E-02
 C    4.276500       1.946200      0.4952000    
 C    4.755200     -0.4043000      0.4453000    
 C    5.171600      0.8975000      0.6783000    
 C  -0.3349000      -5.858900     -0.2881000    
 C   -1.208400      -4.080500       1.070900    
 H   -4.998500     -0.6044000      0.8218000    
 H   -3.333600      -1.124600      0.6618000    
 H   -3.384000     -0.6512000      -1.793700    
 H   -3.876200      0.9323000      -2.407300    
 H   -5.063500     -0.1400000      -1.645700    
 H   -5.844600       1.466100     -3.2600001E-02
 H   -4.838500       2.680800     -0.8211000    
 H   -4.766700       2.467900      0.9377000    
 H   -1.475100     -0.4978000     -0.5821000    
 H   0.1051000      -1.087200      -1.970700    
 H    1.766400      -1.507900      -1.822100    
 H   -2.904900       3.472300      0.1901000    
 H    1.347700      -2.296700      0.5894000    
 H  -0.3081000      -1.841900      0.4044000    
 H   -3.856700     -0.6500000       2.996300    
 H   -4.328300       1.008300       2.622900    
 H   -2.636500      0.4992000       2.444000    
 H  -0.6505000       4.307400      0.2124000    
 H    1.170400      -3.915200      -1.290800    
 H  -0.5334000      -3.501400      -1.493100    
 H    3.205000      -1.696000     -0.1572000    
 H    4.621500       2.960800      0.6846000    
 H    5.446600      -1.230300      0.5853000    
 H    6.188000       1.097200       1.003200    
 H   -1.207400      -5.846300     -0.9513000    
 H   0.5282000      -6.220200     -0.8582000    
 H  -0.5128000      -6.590600      0.5079000    
 H   -2.052700      -3.774500      0.4423000    
 H   -1.559900      -4.885300       1.728500    
 H  -0.9421000      -3.265100       1.750500    


%chk=000114327-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114327

0 1
S 1.981052 3.240453 -0.565587
N 1.324301 0.185876 -0.662756
N -0.424333 -4.508494 0.167493
C -3.675161 0.678504 -0.257195
C -2.273520 1.336339 -0.253643
C -3.752970 -0.452442 0.828749
C 0.194540 1.040890 -0.471298
C -3.925803 0.028634 -1.652993
C -4.806571 1.708325 -0.005174
C -1.126226 0.519719 -0.436668
C 1.079152 -1.187290 -1.159552
C 0.347895 2.448753 -0.318494
C -2.076500 2.723899 -0.067933
C 2.618810 0.509478 -0.155569
C 0.666780 -2.242432 -0.089948
C -3.499246 0.002852 2.281638
C -0.771311 3.268110 -0.094809
C 3.038771 1.860769 0.015081
C -0.165195 -3.368391 -0.738136
C 3.551811 -0.510176 0.186412
C 4.310697 2.174006 0.532591
C 4.842434 -0.195490 0.663917
C 5.229894 1.147863 0.850045
C -0.976988 -5.671441 -0.558424
C -1.250840 -4.149929 1.337492
H -4.756510 -0.919999 0.755382
H -3.025842 -1.248815 0.569604
H -3.169762 -0.744085 -1.884197
H -3.886678 0.789641 -2.453586
H -4.922127 -0.452554 -1.679646
H -5.782847 1.189409 0.009640
H -4.843465 2.468355 -0.807156
H -4.690577 2.233798 0.959124
H -1.273351 -0.556366 -0.552225
H 0.280803 -1.115940 -1.922458
H 1.988087 -1.523567 -1.690133
H -2.924349 3.394652 0.092140
H 1.550575 -2.697024 0.392659
H 0.093427 -1.741387 0.710542
H -3.514285 -0.862995 2.969384
H -4.270263 0.713758 2.629418
H -2.515375 0.496464 2.377369
H -0.624174 4.345780 0.036414
H 0.386975 -3.760773 -1.615569
H -1.124408 -2.929662 -1.136137
H 3.270829 -1.561116 0.092406
H 4.587191 3.225671 0.665402
H 5.535687 -1.008940 0.904278
H 6.224101 1.398632 1.232970
H -1.984937 -5.478068 -1.007559
H -0.290409 -5.963511 -1.373125
H -1.071571 -6.528929 0.131461
H -2.261707 -3.753357 1.055673
H -1.398904 -5.043962 1.968418
H -0.742808 -3.387699 1.951565


