%chk=000102514.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102514

0 1
 S    4.276200     -3.2800000E-02  0.8699000    
 S    5.294200       1.489100     -0.1475000    
 O    6.672700       1.683400      0.7003000    
 O    5.644700      0.9758000      -1.457900    
 O    4.510900       2.701900     -9.8999999E-03
 N   0.6539000      -1.421000     -0.3126000    
 C   -1.677200      -2.235200     -0.1945000    
 C   -2.233100     -0.8757000      0.2464000    
 C  -0.2186000      -2.457000      0.2415000    
 C   -3.693400     -0.6554000     -0.1629000    
 C   -4.279000      0.7207000      0.1684000    
 C   -5.754200      0.8630000     -0.2118000    
 C   0.2725000      -3.834000     -0.2043000    
 C    1.865400      -1.290300      0.4812000    
 C   -6.308700       2.220300      0.2231000    
 C    2.757900     -0.2070000     -0.1116000    
 C   -7.784300       2.354200     -0.1178000    
 H   -1.756500      -2.319400      -1.286400    
 H   -2.305100      -3.030000      0.2276000    
 H   -2.150200     -0.7834000       1.336200    
 H   -1.630900     -6.8599999E-02 -0.1873000    
 H  -0.2062000      -2.419500       1.339100    
 H   -3.784200     -0.8182000      -1.244400    
 H   -4.308700      -1.426700      0.3177000    
 H   -4.163600      0.9001000       1.244600    
 H   -3.693800       1.493300     -0.3452000    
 H   -6.332700      6.1999999E-02  0.2642000    
 H   -5.867500      0.7436000      -1.295900    
 H   0.8809000      -1.626000      -1.284800    
 H    1.270400      -4.064400      0.1806000    
 H  -0.3999000      -4.616100      0.1664000    
 H   0.3016000      -3.917500      -1.296800    
 H    1.604400      -1.019400       1.512100    
 H    2.420700      -2.234300      0.5089000    
 H   -5.749800       3.025100     -0.2682000    
 H   -6.178700       2.347800       1.304200    
 H    2.237100      0.7567000     -0.1247000    
 H    3.036400     -0.4566000      -1.141100    
 H   -8.375300       1.583200      0.3867000    
 H   -8.159500       3.332100      0.2000000    
 H   -7.947400       2.261800      -1.196300    
 H    7.285900       2.374800      0.3565000    


%chk=000102514-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000102514

0 1
S 3.374894 1.234540 -1.449385
S 3.472007 0.948489 1.061572
O 4.348308 -0.731836 1.198462
O 4.407604 2.033320 1.813233
O 1.960192 0.710456 1.608981
N 0.847477 -2.038040 -0.941768
C -1.217489 -2.051986 0.457336
C -1.732884 -0.645913 0.082225
C 0.327030 -2.185896 0.432639
C -3.270961 -0.524672 0.162771
C -3.790691 0.886870 -0.192569
C -5.328215 1.012821 -0.104331
C 0.788982 -3.529115 1.061238
C 2.100005 -1.360712 -1.218345
C -5.848374 2.427364 -0.448219
C 1.850603 0.156545 -1.546780
C -7.384953 2.544555 -0.353458
H -1.661152 -2.813023 -0.221336
H -1.565662 -2.308978 1.477773
H -1.268682 0.101513 0.758789
H -1.394572 -0.391808 -0.943064
H 0.760282 -1.353944 1.020522
H -3.736332 -1.269230 -0.517428
H -3.607341 -0.788627 1.187541
H -3.322964 1.629925 0.486505
H -3.459206 1.152691 -1.218480
H -5.660500 0.742247 0.920084
H -5.798059 0.274359 -0.787752
H 0.436669 -2.634540 -1.662999
H 1.889447 -3.618919 1.025186
H 0.472949 -3.590553 2.119018
H 0.350006 -4.389317 0.520471
H 2.769707 -1.439298 -0.340128
H 2.629034 -1.826108 -2.070076
H -5.517917 2.698470 -1.471925
H -5.377495 3.163838 0.234555
H 1.071474 0.581823 -0.889850
H 1.515864 0.248528 -2.596564
H -7.737788 2.311334 0.669081
H -7.730623 3.564149 -0.605187
H -7.879911 1.838730 -1.047201
H 4.946536 -0.689652 2.002560


