%chk=000104085.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104085

0 1
 S  -0.5178000     -0.1622000      -2.260800    
 S    6.355100       1.651500      9.9399999E-02
 O    1.295300      -2.482900      -1.481900    
 O  -0.1609000      -3.106400       1.320000    
 O   -4.169600       1.972700     -0.2198000    
 O   -2.506800      -1.323400       2.495400    
 O    3.480400     -0.5007000      -1.483300    
 O   -3.945400      -2.274200      0.9932000    
 O   -6.479200       1.998300     -0.1696000    
 N  -0.8833000      -1.183400      0.1625000    
 N    2.271400      -1.216300      0.3627000    
 C    1.055600      -1.601100     -0.3670000    
 C   9.5899999E-02 -0.4098000     -0.5790000    
 C  -4.5800000E-02  -2.157800      0.5796000    
 C   -2.193100     -0.8411000      0.2678000    
 C   -2.749600      8.5500002E-02 -0.5482000    
 C   -2.001300      0.7439000      -1.705200    
 C   -4.172800      0.5782000     -0.4415000    
 C    3.391100     -0.6928000     -0.2717000    
 C   -2.994600      -1.568200       1.263300    
 C    1.726200      -3.792300      -1.142400    
 C    4.519300     -0.3527000      0.6815000    
 C    4.805300       1.120800      0.5981000    
 C   -5.399100       2.569100     -0.1005000    
 C    3.963400       2.174500      0.8784000    
 C    4.599100       3.434200      0.6808000    
 C    5.902400       3.295300      0.2573000    
 C   -5.241400       4.041300      0.1310000    
 H   0.3840000      0.5148000     -6.3000001E-02
 H    2.303900      -1.332100       1.372700    
 H   -1.705700       1.759700      -1.421200    
 H   -2.657900      0.8179000      -2.578700    
 H   -4.704200      0.3499000      -1.373900    
 H   -4.715700      9.7199999E-02  0.3778000    
 H    2.500000      -3.776900     -0.3696000    
 H   0.8760000      -4.395900     -0.8138000    
 H    2.146000      -4.255300      -2.039700    
 H    4.261200     -0.6116000       1.714200    
 H    5.385200     -0.9635000      0.4021000    
 H   -3.014000      -1.790800       3.192900    
 H    2.940100       2.052900       1.210400    
 H    4.124600       4.393500      0.8413000    
 H    6.610500       4.080500      3.3000000E-02
 H   -4.691300       4.212800       1.059600    
 H   -6.229000       4.502900      0.2199000    
 H   -4.719500       4.494900     -0.7152000    


%chk=000104085-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104085

0 1
S -1.382219 -1.010517 -2.072228
S 4.367595 2.043419 1.685961
O 1.028617 -2.352201 -1.056846
O 0.359535 -1.725105 2.115305
O -4.716224 2.090209 -0.594014
O -1.164820 0.679421 3.014641
O 2.300099 0.577619 -2.335442
O -3.436660 0.206193 2.905836
O -6.154840 0.867788 -1.975003
N -0.754251 -0.243079 0.511030
N 2.293080 -0.442253 -0.232486
C 0.997600 -1.097171 -0.348426
C -0.181619 -0.206907 -0.863636
C 0.220010 -1.129790 1.032470
C -2.060898 0.149723 0.871131
C -3.011999 0.386343 -0.102540
C -2.734840 0.233102 -1.590993
C -4.413144 0.857070 0.212352
C 2.871326 0.323683 -1.238663
C -2.326968 0.323129 2.330765
C 1.865970 -3.393285 -0.427418
C 4.300362 0.845860 -0.941979
C 4.784355 0.754020 0.478782
C -5.645948 1.960839 -1.639372
C 5.561056 -0.231828 1.077963
C 5.836545 -0.002274 2.476833
C 5.273771 1.166228 2.961668
C -5.922413 3.311214 -2.259823
H 0.087182 0.795901 -1.219798
H 2.813066 -0.547928 0.645394
H -2.468743 1.211239 -2.031543
H -3.647873 -0.120562 -2.101043
H -5.153160 0.081483 -0.064658
H -4.551604 1.144879 1.261667
H 2.928924 -3.084359 -0.401928
H 1.512436 -3.622037 0.594616
H 1.753194 -4.274693 -1.075181
H 4.978033 0.264583 -1.596475
H 4.328063 1.881580 -1.324172
H -1.353810 0.706354 3.990940
H 5.940973 -1.095149 0.523889
H 6.432022 -0.677606 3.095432
H 5.316289 1.586845 3.964627
H -6.465598 3.948246 -1.539459
H -6.531358 3.185991 -3.166384
H -4.977113 3.824680 -2.502892


