%chk=000093015.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093015

0 1
 S   3.3900000E-02   1.076300       1.028500    
 S    3.802000       1.125500      -1.839700    
 O   -1.628300      -2.799200     -0.9286000    
 O   -3.437800       3.426100     -0.3355000    
 O   -4.793500     -0.9837000      3.0000000E-03
 O    2.827600      -2.123000       1.452400    
 O   -3.844200     -0.3812000      -1.988400    
 N   -1.707500     -0.7953000      0.3117000    
 N    1.249000      -1.492700     -0.1275000    
 C  -0.6844000     -0.5574000       1.313600    
 C   6.6600002E-02  -1.755400      0.6922000    
 C   -1.229600      -1.975600     -0.1388000    
 C   -2.740600      5.2700002E-02  7.1800001E-02
 C   -2.737000       1.322700      0.5422000    
 C   -1.553000       1.941000       1.282400    
 C   -3.880000       2.297100      0.3880000    
 C    2.547500      -1.702500      0.3309000    
 C   -3.832400     -0.4492000     -0.7758000    
 C    3.614300      -1.378600     -0.6958000    
 C    4.029800      5.7300001E-02 -0.5360000    
 C    4.589300      0.6459000      0.5584000    
 C    4.844600       2.028500      0.3277000    
 C    4.464100       2.421000     -0.9367000    
 H   -1.037600     -0.7369000       2.336000    
 H   0.2334000      -2.576100       1.401200    
 H   -1.382500       2.970600      0.9539000    
 H   -1.773100       1.968700       2.355300    
 H    1.134100      -1.129500      -1.070900    
 H   -4.219900       2.629400       1.374600    
 H   -4.747300       1.876000     -0.1277000    
 H    3.242000      -1.600200      -1.702500    
 H    4.473200      -2.037200     -0.5213000    
 H   -3.180600       3.127400      -1.224700    
 H   -5.544600      -1.331300     -0.5236000    
 H    4.813500      0.1301000       1.483200    
 H    5.285300       2.700900       1.052100    
 H    4.543100       3.406600      -1.373400    


%chk=000093015-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000093015

0 1
S -0.122028 0.883149 1.920403
S 4.420660 -0.305589 -2.127469
O -0.777821 -1.209280 -2.026351
O -3.926035 3.370544 0.023742
O -3.798471 -1.153177 -1.462968
O 2.369960 -3.242311 1.070710
O -4.404969 1.083052 -1.555675
N -1.687983 -0.587182 0.158447
N 1.561171 -1.209485 0.270352
C -0.795313 -0.782390 1.317601
C 0.177867 -1.595627 0.376753
C -0.780608 -1.159583 -0.789292
C -2.752425 0.334396 0.086768
C -2.875370 1.354547 1.008910
C -1.854170 1.651655 2.087551
C -4.077195 2.300405 1.015651
C 2.584191 -2.080929 0.617812
C -3.721180 0.161465 -1.031407
C 4.020308 -1.531457 0.455359
C 4.176214 -0.258343 -0.331512
C 4.149507 1.058124 0.116693
C 4.314579 2.042290 -0.927088
C 4.472249 1.485782 -2.185436
H -1.254219 -1.318560 2.161232
H 0.148120 -2.678768 0.591784
H -1.669632 2.741880 2.096874
H -2.254350 1.375521 3.081281
H 1.810399 -0.287823 -0.101568
H -4.139235 2.818092 1.987851
H -5.018501 1.738542 0.854587
H 4.614363 -2.358157 0.027652
H 4.408960 -1.381241 1.480952
H -4.066277 2.932499 -0.862386
H -4.369824 -1.209669 -2.275750
H 4.024082 1.316197 1.172220
H 4.318135 3.119811 -0.747544
H 4.614242 1.980420 -3.144536


