%chk=000123816.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000123816

0 1
 S  -0.8942000       1.358100      0.7010000    
 S    3.744900       2.708200      -1.484200    
 O   -1.659400      -3.157600     -9.6699998E-02
 O   -5.484900       2.269100      0.3039000    
 O   -5.156000      -1.759600     -0.1452000    
 O   -3.990700      -1.607100      -2.107000    
 O    2.287700     -0.9941000       2.400200    
 O    4.901400      -1.396700      -1.066700    
 N   -2.217600     -0.9272000      0.4270000    
 N   0.8390000      -1.169600      0.5616000    
 N    3.876100      -1.795900     -0.1981000    
 N    4.504200       1.265700      0.5219000    
 N    5.525300       3.392700      0.3685000    
 C   -1.413600     -0.2219000       1.408300    
 C  -0.4119000      -1.391100       1.286200    
 C   -1.512900      -2.079500      0.4300000    
 C   -3.306600     -0.3916000     -0.1822000    
 C   -3.556800      0.9388000     -0.1416000    
 C   -2.606400       1.953400      0.4903000    
 C   -4.784700       1.598200     -0.7224000    
 C   -4.165900      -1.311800     -0.9420000    
 C    2.053400     -0.9953000       1.202400    
 C    3.198300     -0.7808000      0.2465000    
 C    3.579200      0.5638000     -0.1975000    
 C   -6.657400       2.912800     -0.1864000    
 C    3.047700       1.151500      -1.305700    
 C    4.674500       2.427300     -6.9499999E-02
 C    5.587400      -2.560000      -1.502800    
 H   -1.899000     -0.1538000       2.389200    
 H  -0.2469000      -1.919900       2.233400    
 H   -2.993500       2.260500       1.467900    
 H   -2.542800       2.846500     -0.1405000    
 H   0.8325000      -1.134200     -0.4554000    
 H   -4.477600       2.314500      -1.494700    
 H   -5.453500      0.8729000      -1.197400    
 H   -5.756000      -2.378100     -0.6140000    
 H   -7.147200       3.417200      0.6508000    
 H   -7.350400       2.177300     -0.6060000    
 H   -6.395900       3.660400     -0.9415000    
 H    2.312700      0.7740000      -2.002700    
 H    6.093200       3.267400       1.200100    
 H    5.626800       4.277000     -0.1186000    
 H    4.905000      -3.224900      -2.041400    
 H    6.388900      -2.255600      -2.181100    
 H    6.029300      -3.083800     -0.6495000    


%chk=000123816-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000123816

0 1
S -1.417674 1.483983 -0.851542
S 6.631599 1.709520 2.329647
O -1.196014 -2.350384 1.444043
O -5.878669 1.573294 -1.696918
O -4.084986 -1.954412 2.281556
O -5.469926 -2.073134 0.417628
O 2.154547 0.979603 2.497250
O 3.989686 -0.496714 -1.686755
N -2.392532 -0.242672 1.084307
N 0.897341 0.065820 0.770713
N 2.955796 -0.258656 -0.735868
N 5.765688 0.635670 0.019753
N 8.113589 1.091074 0.013092
C -1.549086 0.963328 0.965108
C -0.333128 0.115855 1.507946
C -1.300201 -1.117798 1.384629
C -3.666496 -0.423383 0.498841
C -4.118601 0.424213 -0.494537
C -3.304946 1.582314 -1.045536
C -5.498354 0.279335 -1.115898
C -4.493523 -1.547548 1.012583
C 2.095115 0.488650 1.327083
C 3.309720 0.310400 0.415743
C 4.638256 0.748739 0.869531
C -7.166210 1.495877 -2.385401
C 4.899344 1.294563 2.129903
C 6.866287 1.074146 0.591282
C 3.375359 -1.141523 -2.870363
H -1.886463 1.820794 1.565816
H -0.093855 0.376951 2.553828
H -3.645998 2.529110 -0.591697
H -3.487955 1.680411 -2.127565
H 0.950056 -0.325169 -0.177315
H -5.471258 -0.501390 -1.910851
H -6.249305 -0.055393 -0.373317
H -4.606690 -2.756266 2.553750
H -7.356497 2.499749 -2.795267
H -7.983937 1.220659 -1.686853
H -7.139000 0.756139 -3.213380
H 4.184272 1.469684 2.928564
H 8.205637 0.734018 -0.935184
H 8.929881 1.439142 0.505336
H 2.620713 -0.476345 -3.324701
H 4.218658 -1.300019 -3.560132
H 2.915459 -2.105033 -2.590452


