%chk=000117838.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117838

0 1
 S   0.5102000     -0.6113000      0.4932000    
 S    5.038500     -0.1617000     -9.5700003E-02
 O    1.144600      0.3462000       1.386300    
 O   0.5565000      -2.032700      0.8028000    
 O    3.425300      4.8099998E-02 -0.2534000    
 O  -0.5424000       2.168100      1.9999999E-04
 O   -4.456300      -1.707600      0.2747000    
 O    5.439200      0.8506000       1.119200    
 O    5.258800      -1.516800      0.3741000    
 O    5.694700      0.3073000      -1.302000    
 N   -5.186800      0.9712000     -0.1797000    
 C    1.220300     -0.4076000      -1.123800    
 C   -1.160400     -0.1322000      0.2941000    
 C    2.689400     -0.7825000      -1.142400    
 C   -1.500500       1.201800      7.0100002E-02
 C   -2.158200      -1.104500      0.3615000    
 C   -3.496200     -0.7428000      0.2045000    
 C   -2.838500       1.563500     -8.6900003E-02
 C   -3.836400      0.5912000     -1.9700000E-02
 C  -0.9850000       3.503700     -0.2319000    
 C   -4.816800      -2.352100     -0.9450000    
 H   0.6552000      -1.034900      -1.819400    
 H    1.102900      0.6436000      -1.402000    
 H    2.820000      -1.828500     -0.8449000    
 H    3.087400     -0.6594000      -2.155300    
 H   -1.916800      -2.149800      0.5340000    
 H   -3.165700       2.582900     -0.2634000    
 H   -5.426600       1.940500     -0.3401000    
 H   -5.916900      0.2743000     -0.1175000    
 H   -1.609800       3.871800      0.5891000    
 H   -1.471400       3.605100      -1.208200    
 H  -9.2200004E-02   4.137300     -0.2573000    
 H   -5.616600      -3.066500     -0.7314000    
 H   -3.961200      -2.897700      -1.355500    
 H   -5.183700      -1.625500      -1.676800    
 H    5.072000       1.762800       1.046100    


%chk=000117838-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000117838

0 1
S 0.566810 -0.583449 -0.206299
S 4.660131 -0.272838 0.431476
O 1.235444 0.006730 1.200067
O 0.557058 -2.203613 -0.422239
O 3.753889 0.645239 -0.988207
O -0.475533 2.260166 -0.360472
O -4.608642 -1.559001 -0.025856
O 3.661138 0.198960 1.770797
O 4.532103 -1.846777 0.085702
O 6.079932 0.440057 0.574089
N -5.248467 1.016780 -0.003020
C 1.462861 0.199270 -1.753976
C -1.198732 -0.017778 -0.250064
C 2.926866 -0.220314 -1.833363
C -1.533262 1.354293 -0.246703
C -2.173475 -1.035781 -0.177926
C -3.521310 -0.671156 -0.101566
C -2.897167 1.714201 -0.166909
C -3.903516 0.715145 -0.087485
C -0.738044 3.677372 -0.076806
C -4.299011 -2.992320 0.013858
H 0.857561 -0.204538 -2.582975
H 1.313626 1.280188 -1.616418
H 3.074036 -1.292919 -1.579437
H 3.269092 -0.076154 -2.877827
H -1.836820 -2.078019 -0.177117
H -3.192079 2.767903 -0.172977
H -5.579335 1.976334 0.022797
H -5.916091 0.250562 0.053671
H -1.195823 3.797012 0.922191
H -1.387056 4.124988 -0.853487
H 0.250316 4.157868 -0.094406
H -5.271559 -3.499243 0.089722
H -3.676302 -3.236942 0.894999
H -3.780227 -3.309839 -0.910580
H 2.608190 0.073512 1.504344


