%chk=000127595.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127595

0 1
 S    1.654900       1.481700     -2.6200000E-02
 O   -1.848600      -1.096000      -2.127400    
 O    1.488600      -2.123400       1.118700    
 O   -4.770400      0.4092000       2.259100    
 O   -5.929400       1.554500      0.6824000    
 O    4.614000     -0.4661000      0.6270000    
 O    3.394600       3.965400      0.7458000    
 O    5.986000      -2.136600       1.316400    
 N  -0.4942000     -0.9277000     -0.2479000    
 N    2.967200      -2.027700     -0.6664000    
 N   -6.670300     -0.8430000     -0.4579000    
 N    1.729800       5.170800     -0.2831000    
 C   0.7755000      -1.033400     -0.9289000    
 C   -4.230800     -0.8681000     -0.6673000    
 C   -2.878400     -0.8254000      4.7200002E-02
 C   -5.417600     -0.7976000      0.3002000    
 C    1.303200      0.3268000      -1.391800    
 C   -1.710500     -0.9686000     -0.9139000    
 C    1.754800      -1.790500     -3.4400001E-02
 C   -5.423200      0.5095000       1.071900    
 C    4.064700      -2.706000     -1.7200001E-02
 C    2.147100       2.908400      -1.018800    
 C    2.503100       4.047300     -9.6500002E-02
 C    4.989800      -1.763700      0.7088000    
 H   0.6201000      -1.655900      -1.820200    
 H   -4.277500     -3.5900000E-02  -1.383200    
 H   -4.296600      -1.791000      -1.258700    
 H   -2.751100      0.1271000      0.5737000    
 H   -2.817900      -1.635200      0.7839000    
 H   -5.402800      -1.636900       1.004400    
 H  -0.4879000     -0.7945000      0.7596000    
 H   0.5578000      0.7982000      -2.042500    
 H    2.220600      0.2091000      -1.976900    
 H    3.099500      -1.735600      -1.629700    
 H   -6.709500      -1.705100      -1.000600    
 H   -7.458700     -0.8793000      0.1875000    
 H    4.633100      -3.221200     -0.7966000    
 H    3.668800      -3.429200      0.7019000    
 H    3.031000       2.667800      -1.617700    
 H    1.331600       3.186600      -1.692800    
 H   -4.765800       1.260300       2.746700    
 H    1.874800       6.000800      0.2822000    
 H   0.9948000       5.221700     -0.9811000    
 H    5.230600      0.1262000       1.107600    


%chk=000127595-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127595

0 1
S 1.065284 1.559983 -0.585831
O -1.946216 -1.243627 -2.082330
O 1.387759 -1.695337 1.417903
O -5.247038 -1.288859 2.430315
O -6.117250 0.807518 1.945788
O 4.652818 0.393540 -0.400529
O 4.452953 2.948616 -0.195601
O 5.491296 -0.002443 1.740019
N -0.659880 -1.173695 -0.155923
N 2.982346 -1.697005 -0.282391
N -6.805226 -0.131121 -0.599647
N 2.717286 4.464534 -0.133062
C 0.613441 -1.250412 -0.874024
C -4.282184 -0.461130 -0.521426
C -3.109282 -1.255500 0.094375
C -5.687365 -0.778816 0.098583
C 0.895071 0.026749 -1.704164
C -1.873244 -1.218874 -0.809723
C 1.699375 -1.559854 0.193767
C -5.731243 -0.315151 1.550863
C 4.138050 -1.729740 0.620929
C 2.451186 2.462513 -1.542266
C 3.283646 3.299859 -0.577745
C 4.834142 -0.360491 0.739476
H 0.566808 -2.085941 -1.605930
H -4.095740 0.628119 -0.452919
H -4.331741 -0.714888 -1.597337
H -2.860613 -0.894724 1.108567
H -3.411488 -2.317002 0.206740
H -5.820143 -1.877372 0.092136
H -0.575614 -1.244497 0.867628
H 0.056600 0.181453 -2.400017
H 1.833201 -0.070329 -2.278581
H 3.178604 -1.439784 -1.251347
H -6.796071 -0.248145 -1.615289
H -6.984893 0.829025 -0.290373
H 4.876557 -2.476446 0.275593
H 3.792610 -2.024796 1.623782
H 3.105668 1.696792 -1.981958
H 2.000544 3.083648 -2.333975
H -5.268819 -0.932984 3.360794
H 3.229185 5.030218 0.545190
H 1.775361 4.742509 -0.405274
H 4.819057 1.411687 -0.287484


