%chk=000021658.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021658

0 1
 S    3.785100       2.093900     -0.6348000    
 N   -3.949300       1.144800     -0.2570000    
 N   0.4220000      -2.611100      0.5531000    
 C   -1.762900     -1.5000000E-03 -0.7698000    
 C   -2.878100      0.3079000      0.2963000    
 C  -0.6733000     -0.8660000     -0.2728000    
 C   0.7038000     -0.5211000     -0.1745000    
 C   -2.398700     -0.5674000      -2.071500    
 C    1.368700      -1.633300      0.3464000    
 C  -0.8150000      -2.156900      0.1818000    
 C   -2.302500       1.015900       1.528200    
 C    1.450600      0.6342000     -0.4797000    
 C    2.748700      -1.647900      0.5781000    
 C    2.831800      0.6339000     -0.2531000    
 C   -5.005900       1.333900      0.7218000    
 C    3.468800     -0.4908000      0.2679000    
 C    3.006100       3.331400      0.4395000    
 H   -1.330700      0.9677000      -1.056700    
 H   -3.305200     -0.6528000      0.6150000    
 H   -1.621100     -0.8130000      -2.803900    
 H   -2.967300      -1.481600      -1.868100    
 H   -3.070700      0.1589000      -2.539200    
 H   -1.682600      -2.795000      0.2760000    
 H   -3.016600       1.068100       2.356100    
 H   -1.436600      0.4773000       1.927200    
 H   -1.969700       2.032900       1.290400    
 H   -3.578700       2.049100     -0.5466000    
 H   0.6134000      -3.531000      0.9252000    
 H   0.9523000       1.507100     -0.8924000    
 H    3.245400      -2.523000      0.9838000    
 H   -5.324800      0.3912000       1.179200    
 H   -5.882000       1.748100      0.2112000    
 H   -4.737800       2.051400       1.503100    
 H    4.542700     -0.4885000      0.4438000    
 H    3.567400       4.267100      0.3726000    
 H    3.014700       2.992600       1.479000    
 H    1.976200       3.523000      0.1278000    


%chk=000021658-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000021658

0 1
S 3.478228 2.462999 -0.788218
N -3.977956 1.183963 -0.310618
N 0.527121 -2.615549 0.528897
C -1.963368 -0.164695 -0.880787
C -2.890213 0.354687 0.275233
C -0.769160 -0.942730 -0.357204
C 0.602493 -0.470942 -0.243052
C -2.778679 -0.986951 -1.909765
C 1.392963 -1.541052 0.311930
C -0.769204 -2.254266 0.122812
C -2.092984 1.095488 1.381732
C 1.241118 0.757235 -0.562189
C 2.781598 -1.416476 0.541389
C 2.624037 0.886296 -0.333351
C -5.155565 1.413743 0.547388
C 3.390284 -0.190690 0.208169
C 3.554671 3.281917 0.917562
H -1.574886 0.738544 -1.400579
H -3.383150 -0.532417 0.726605
H -2.157437 -1.250011 -2.784447
H -3.145555 -1.929415 -1.459965
H -3.656290 -0.405347 -2.236966
H -1.590240 -2.964811 0.198568
H -2.775473 1.489566 2.157284
H -1.362590 0.429321 1.872473
H -1.533803 1.948938 0.950318
H -3.601603 2.063445 -0.693050
H 0.794963 -3.524645 0.898567
H 0.679668 1.596217 -0.986064
H 3.375645 -2.239810 0.953401
H -5.631028 0.442854 0.781203
H -5.897108 2.020633 -0.002903
H -4.948271 1.927131 1.517740
H 4.467846 -0.056147 0.349053
H 4.076556 4.242557 0.779800
H 4.119484 2.644626 1.615283
H 2.536089 3.455295 1.297152


