%chk=000102270.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102270

0 1
 S   7.8000002E-02   1.471400       1.897600    
 O   0.8941000      0.6670000      0.7272000    
 O    3.056600      -1.992500       1.026400    
 O  -4.4900000E-02   2.866800       1.522100    
 O   0.6212000       1.071200       3.182300    
 O   -5.780200      0.2717000     -0.3427000    
 N   -5.023000       1.849000      -2.452600    
 N   -5.674600       2.066100      -3.293200    
 C    2.866000      0.1747000     -0.5499000    
 C    2.061800     -0.8408000      -1.330300    
 C    1.200300      -1.715800     -0.4696000    
 C    4.217700      0.3893000     -0.8338000    
 C    2.212200      0.8793000      0.4531000    
 C  -0.1339000      -1.989000     -0.8125000    
 C    4.930000       1.349800     -7.6899998E-02
 C  -0.9088000      -2.820400      3.0600000E-02
 C    1.762500      -2.254300      0.6882000    
 C    2.912500       1.824200       1.197200    
 C    4.262600       2.058900      0.9351000    
 C   -1.559800      0.8131000       1.816300    
 C    4.884800     -0.3196000      -1.846200    
 C   -2.422600       1.074800      0.7463000    
 C    6.288600       1.572900     -0.3544000    
 C  -0.7158000      -1.455400      -1.974000    
 C  -0.3265000      -3.354200       1.191800    
 C    1.000500      -3.072100       1.517200    
 C   -3.719500      0.5086000      0.7580000    
 C   -2.243100      -3.093600     -0.3124000    
 C    6.235000     -8.5299999E-02  -2.108000    
 C   -1.952300      1.2000000E-02   2.883400    
 C    6.935600      0.8590000      -1.363600    
 C   -2.042900      -1.737100      -2.299100    
 C   -2.035800       1.882400     -0.3357000    
 C   -4.106500     -0.2994000       1.839500    
 C   -2.805100      -2.554500      -1.470000    
 C   -3.227600     -0.5450000       2.894700    
 C   -4.591400      0.7667000     -0.3124000    
 C   -2.915000       2.128400      -1.390600    
 C   -4.190500       1.571900      -1.378900    
 H    2.659300      -1.545100      -1.910600    
 H    1.517700     -0.2371000      -2.058300    
 H    2.476200       2.415700       1.993000    
 H    4.791300       2.802100       1.528600    
 H    4.409600      -1.055300      -2.483500    
 H    6.855800       2.306600      0.2145000    
 H  -0.1883000     -0.8261000      -2.680500    
 H  -0.9040000      -3.994700       1.855100    
 H    1.425200      -3.497400       2.422600    
 H   -2.858100      -3.728400      0.3220000    
 H    6.739200     -0.6368000      -2.896500    
 H   -1.300700     -0.2107000       3.722100    
 H    7.986300       1.041800      -1.568800    
 H   -2.481900      -1.319700      -3.200800    
 H   -1.046600       2.308200     -0.4476000    
 H   -5.089600     -0.7612000       1.899400    
 H   -3.838800      -2.771900      -1.722900    
 H   -3.538500      -1.173500       3.724200    
 H   -2.590000       2.746700      -2.223500    
 H    3.265900      -2.445400       1.861100    


%chk=000102270-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000102270

0 1
S -0.307410 0.699442 1.741123
O 0.550767 0.744936 -0.219739
O 3.667362 -2.070002 1.060998
O -0.010924 2.176831 2.383824
O 0.000068 -0.608223 2.669468
O -6.136626 2.251888 -0.979354
N -4.930811 4.701303 -1.395399
N -5.693939 5.413493 -1.936764
C 2.775121 -0.019126 -0.774936
C 2.188428 -1.364026 -1.196094
C 1.576303 -2.239042 -0.100212
C 4.162534 0.322461 -0.973350
C 1.889515 0.994962 -0.289449
C 0.254474 -2.812305 -0.208751
C 4.629444 1.660633 -0.643469
C -0.216684 -3.731474 0.816064
C 2.359404 -2.592000 1.009946
C 2.372276 2.311954 0.054365
C 3.706610 2.632229 -0.120366
C -2.100505 0.563667 1.133245
C 5.135314 -0.617548 -1.464988
C -2.763631 1.656694 0.503085
C 6.003316 2.000964 -0.838758
C -0.640583 -2.526485 -1.297980
C 0.625268 -4.032722 1.933059
C 1.892525 -3.470980 2.032811
C -4.120427 1.400661 0.085572
C -1.513334 -4.332393 0.696495
C 6.473345 -0.258749 -1.643252
C -2.674538 -0.695401 1.336070
C 6.915281 1.064153 -1.335581
C -1.897755 -3.128497 -1.389829
C -2.160323 2.958753 0.272772
C -4.723364 0.134079 0.304155
C -2.342664 -4.048257 -0.389545
C -4.013692 -0.906242 0.923630
C -4.937571 2.442391 -0.593585
C -2.864872 3.963572 -0.351077
C -4.224384 3.740493 -0.786404
H 2.964685 -1.958594 -1.707233
H 1.417803 -1.154587 -1.955639
H 1.651283 3.033872 0.448164
H 4.078166 3.632330 0.130571
H 4.833973 -1.645348 -1.680259
H 6.333602 3.016149 -0.589134
H -0.346698 -1.811733 -2.071632
H 0.259589 -4.713286 2.710052
H 2.538985 -3.700533 2.889651
H -1.838411 -5.031668 1.476772
H 7.191083 -0.997089 -2.016590
H -2.092111 -1.493655 1.807420
H 7.965656 1.337764 -1.483157
H -2.554193 -2.887449 -2.233295
H -1.141461 3.141379 0.618710
H -5.756488 0.000301 -0.031542
H -3.325210 -4.524117 -0.481094
H -4.476869 -1.884229 1.082224
H -2.409659 4.943684 -0.523167
H 4.093155 -2.267280 1.931177


