%chk=000030344.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030344

0 1
 S   -4.744900      0.1171000     -0.1693000    
 O    2.573000       2.851400       1.085400    
 O    4.675600       2.344900     -0.6584000    
 O   -5.130700     -0.1826000      -1.541000    
 O   -5.563100     -0.3680000      0.9338000    
 N    1.161600      -3.065800     -0.1046000    
 C   0.9465000      -1.784200      0.6273000    
 C    1.951100     -0.6777000      0.2768000    
 C    2.586100      -3.372400     -0.2735000    
 C    3.240800      -2.306900      -1.147900    
 C    3.045500     -0.9358000     -0.5666000    
 C  -0.4920000      -1.303500      0.4260000    
 C    1.824000      0.6043000      0.8416000    
 C   0.4927000      -4.189200      0.5625000    
 C    3.944100      9.1899998E-02 -0.8871000    
 C   -1.336000      -1.188800       1.522700    
 C  -0.9361000     -0.9879000     -0.8515000    
 C   -3.103300     -0.4314000      5.9799999E-02
 C    2.731500       1.617500      0.5300000    
 C    3.786200       1.363700     -0.3407000    
 C   -4.647200       1.885200     -3.1999999E-03
 C   -2.647500     -0.7509000       1.338900    
 C   -2.247600     -0.5500000      -1.035300    
 C   -6.030300       2.504600     -0.1391000    
 C   -3.678500       2.458100      -1.027100    
 C    1.770700       3.786800      0.3675000    
 C    5.828000       2.469600      0.1729000    
 H    1.117800      -1.979100       1.696900    
 H    2.710500      -4.340300     -0.7747000    
 H    3.091600      -3.440500      0.6994000    
 H    2.815500      -2.326700      -2.159000    
 H    4.311000      -2.530800      -1.230800    
 H    1.011200      0.8202000       1.531300    
 H   0.6324000      -5.112900     -1.0600000E-02
 H  -0.5891000      -4.032500      0.6230000    
 H   0.8767000      -4.353700       1.575700    
 H    4.776200     -0.1056000      -1.559200    
 H  -0.9927000      -1.433100       2.523900    
 H  -0.2819000      -1.074500      -1.714600    
 H   -4.272400       2.087300       1.006900    
 H   -3.294900     -0.6594000       2.206400    
 H   -2.579000     -0.3051000      -2.040500    
 H   -5.985500       3.590200     -2.4999999E-03
 H   -6.463400       2.305300      -1.125300    
 H   -6.719200       2.103100      0.6115000    
 H   -3.696900       3.553500     -0.9968000    
 H   -3.927800       2.152900      -2.048600    
 H   -2.646000       2.162300     -0.8227000    
 H   0.7479000       3.411600      0.2601000    
 H    2.202500       3.988600     -0.6178000    
 H    1.742900       4.720900      0.9351000    
 H    6.433300       3.298900     -0.2030000    
 H    6.427200       1.554300      0.1373000    
 H    5.536900       2.688600       1.205100    


%chk=000030344-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000030344

0 1
S -4.819063 0.137335 -0.035507
O 2.559569 2.793309 1.167450
O 4.845309 2.286070 -0.606728
O -5.329172 -0.360684 -1.514278
O -5.625457 -0.258895 1.338429
N 1.215729 -3.133809 -0.176857
C 1.021468 -1.899967 0.630704
C 2.030642 -0.794070 0.257661
C 2.641009 -3.485257 -0.375846
C 3.324069 -2.408246 -1.231294
C 3.126224 -1.034557 -0.613813
C -0.422587 -1.400707 0.476363
C 1.870814 0.493436 0.825355
C 0.423221 -4.267226 0.345749
C 4.044654 0.011351 -0.872516
C -1.200638 -1.071033 1.612300
C -0.985125 -1.265640 -0.818900
C -3.030323 -0.451008 0.169781
C 2.774095 1.536344 0.550163
C 3.895208 1.285236 -0.293059
C -4.734937 2.132444 -0.085887
C -2.523864 -0.591870 1.470635
C -2.302913 -0.791725 -0.984706
C -6.181262 2.599175 0.073276
C -4.043465 2.526016 -1.387548
C 2.293093 3.902167 0.221817
C 5.613724 2.791632 0.555247
H 1.177236 -2.123897 1.721443
H 2.678719 -4.461562 -0.892365
H 3.183577 -3.601400 0.597065
H 2.882157 -2.435301 -2.246630
H 4.402857 -2.630411 -1.336587
H 1.022147 0.718447 1.479732
H 0.537018 -5.134910 -0.326930
H -0.646351 -4.000103 0.378795
H 0.734258 -4.579429 1.374150
H 4.911294 -0.157292 -1.521610
H -0.778800 -1.205138 2.615884
H -0.384814 -1.564365 -1.684071
H -4.126546 2.333017 0.813884
H -3.157340 -0.373673 2.336999
H -2.774254 -0.715600 -1.970580
H -6.198950 3.700878 0.172103
H -6.784859 2.320837 -0.808667
H -6.645058 2.158856 0.972727
H -4.045533 3.628445 -1.480656
H -4.586824 2.105721 -2.252714
H -2.994722 2.182955 -1.425585
H 1.351135 3.714167 -0.328027
H 3.125755 4.021354 -0.494761
H 2.189303 4.802260 0.846832
H 6.259175 3.588311 0.155246
H 6.235563 1.980364 0.979277
H 4.938835 3.191149 1.333455


