%chk=000088549.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088549

0 1
 S    4.556100      -2.170800      2.4599999E-02
 O    1.595400       3.162100     -0.4372000    
 O    4.547400      -2.912100      -1.428200    
 O    3.539900      -2.777900      0.8647000    
 O    5.930600      -2.037400      0.4716000    
 N    3.254000       1.663100      0.1799000    
 C   -3.023900      0.8125000     -5.9300002E-02
 C   -4.056700     -0.2835000      0.2176000    
 C   -1.582600      0.3740000      0.2154000    
 C   -5.473400      0.1995000     -0.1037000    
 C  -0.5480000       1.460700     -8.4100001E-02
 C   -6.548100     -0.8679000      0.1253000    
 C   0.8729000      0.9651000      0.1954000    
 C   -7.983200     -0.4490000     -0.2024000    
 C    1.926200       2.037200     -5.3100001E-02
 C    3.693400      0.3463000      0.6358000    
 C    3.980200     -0.5930000     -0.5199000    
 C   -9.001300      -1.561500     -8.1000002E-03
 C    4.321300       2.632600     -3.4299999E-02
 H   -3.254500       1.691200      0.5558000    
 H   -3.105600       1.129000      -1.106600    
 H   -3.999800     -0.5869000       1.269600    
 H   -3.824400      -1.167500     -0.3882000    
 H   -1.358400     -0.5133000     -0.3897000    
 H   -1.496000      7.0400000E-02   1.266000    
 H   -5.706800       1.077500      0.5111000    
 H   -5.516600      0.5256000      -1.150200    
 H  -0.6318000       1.771000      -1.132900    
 H  -0.7609000       2.346500      0.5271000    
 H   -6.295900      -1.750000     -0.4774000    
 H   -6.506700      -1.189400       1.173800    
 H    1.086000      0.1000000     -0.4393000    
 H   0.9337000      0.6582000       1.245200    
 H   -8.262200      0.4046000      0.4266000    
 H   -8.029800     -0.1053000      -1.242600    
 H    2.933500     -9.1100000E-02   1.289100    
 H    4.585900      0.4737000       1.260500    
 H    3.077800     -0.7641000      -1.114500    
 H    4.746700     -0.1787000      -1.183100    
 H   -8.773900      -2.415900     -0.6534000    
 H   -10.00610      -1.205200     -0.2553000    
 H   -9.007500      -1.907300       1.030300    
 H    4.831600       2.810700      0.9169000    
 H    3.937600       3.584700     -0.4093000    
 H    5.031400       2.229200     -0.7616000    
 H    5.238300      -2.609200      -2.063200    


%chk=000088549-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000088549

0 1
S 4.722807 -2.150085 -0.104220
O 1.599592 3.251486 -0.304204
O 4.697779 -2.818188 -1.848044
O 3.586194 -2.873226 0.794348
O 6.243530 -2.077807 0.446056
N 3.283657 1.743330 0.231666
C -3.033401 0.797986 -0.097164
C -4.100906 -0.282008 0.188479
C -1.597701 0.351240 0.259751
C -5.535762 0.171711 -0.163420
C -0.543007 1.438439 -0.041045
C -6.606330 -0.908396 0.111273
C 0.885037 0.986257 0.325330
C -8.040829 -0.449841 -0.237963
C 1.928394 2.080597 0.051831
C 3.745034 0.405076 0.624336
C 4.103282 -0.410381 -0.636741
C -9.104497 -1.535743 0.033324
C 4.318921 2.775574 0.016515
H -3.281290 1.718463 0.471464
H -3.073186 1.077448 -1.170711
H -4.059239 -0.565516 1.261130
H -3.856364 -1.200911 -0.384790
H -1.353512 -0.574606 -0.303021
H -1.557705 0.079828 1.335962
H -5.782305 1.087009 0.414705
H -5.575394 0.461936 -1.234387
H -0.575601 1.710801 -1.113225
H -0.782078 2.365325 0.512369
H -6.363706 -1.823004 -0.469733
H -6.567252 -1.201747 1.181427
H 1.136617 0.060940 -0.231785
H 0.919110 0.713231 1.401061
H -8.283551 0.461668 0.345788
H -8.077508 -0.152695 -1.306104
H 2.974370 -0.124280 1.206454
H 4.637961 0.506531 1.269180
H 3.239360 -0.632931 -1.280601
H 4.945359 -0.004164 -1.216505
H -8.903199 -2.445302 -0.563840
H -10.120607 -1.182151 -0.221637
H -9.106711 -1.830006 1.100010
H 4.887145 2.953393 0.948657
H 3.809451 3.703875 -0.282702
H 5.025421 2.480244 -0.781582
H 5.058419 -3.751005 -1.832990


