%chk=000125290.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125290

0 1
 I    1.020100      -1.771100       3.938700    
 S   -2.806100       2.991700      0.4175000    
 O   -2.491100      0.1631000       1.661100    
 O   -3.486100       3.975800     -0.4022000    
 O   -2.986100       2.982100       1.856300    
 O    2.365900     -0.1446000      -2.056100    
 O    3.915100      -2.664600      -1.505300    
 N   -3.252000     -0.9071000     -0.2415000    
 N   -3.116800       1.428100     -0.2000000    
 N    3.569100       1.051900     -0.4747000    
 C   -3.140000      -2.259300      0.2588000    
 C   -4.226800      -3.159300     -0.3389000    
 C   -1.741600      -2.829200     -1.9000000E-03
 C   -3.983400      -3.468400      -1.816000    
 C   -1.502300      -3.138700      -1.479600    
 C   -2.589900      -4.044600      -2.048500    
 C   -2.914600      0.2020000      0.5097000    
 C   -1.069500       3.133600      0.1206000    
 C    1.671400       3.358100     -0.3479000    
 C    3.136800       3.480000     -0.5973000    
 C  -0.6090000       3.664000      -1.084800    
 C  -0.1595000       2.715800       1.091600    
 C   0.7616000       3.776500      -1.319000    
 C    1.211100       2.827900      0.8575000    
 C    3.750600       2.241800      -1.262300    
 C    2.881000     -6.0100000E-02 -0.9444000    
 C    2.757900      -1.199500      1.0000000E-03
 C    3.279900      -2.453100     -0.3183000    
 C    2.110100      -1.003900       1.220800    
 C    3.153700      -3.511300      0.5819000    
 C    1.984400      -2.061800       2.121300    
 C    2.506200      -3.315500       1.801900    
 H   -3.292300      -2.217800       1.344600    
 H   -4.253400      -4.104200      0.2188000    
 H   -5.212900      -2.693800     -0.2229000    
 H  -0.9710000      -2.133700      0.3510000    
 H   -1.620500      -3.754600      0.5756000    
 H   -4.736700      -4.183000      -2.167000    
 H   -4.110000      -2.560200      -2.416700    
 H   -1.467000      -2.204000      -2.052300    
 H  -0.5243000      -3.619100      -1.598700    
 H   -2.425100      -4.189800      -3.122100    
 H   -2.522000      -5.033600      -1.578800    
 H   -3.549200     -0.7611000      -1.201000    
 H   -3.517900       1.372400      -1.144600    
 H    3.336600       4.359800      -1.222300    
 H    3.650700       3.675100      0.3536000    
 H   -1.300900       3.989000      -1.856600    
 H  -0.4940000       2.296100       2.035900    
 H    1.108000       4.188200      -2.263200    
 H    1.908700       2.504200       1.625300    
 H    4.830100       2.387900      -1.376100    
 H    3.328100       2.101600      -2.263200    
 H    3.989500       1.023400      0.4499000    
 H    1.697900     -2.8999999E-02   1.464400    
 H    3.557400      -4.490500      0.3388000    
 H    2.418600      -4.153500       2.488800    
 H    3.935000      -1.847200      -2.028700    


%chk=000125290-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125290

0 1
I 4.238205 -2.799878 4.197360
S -2.928624 3.078744 -0.422523
O -2.206632 0.409657 0.957862
O -3.408800 3.859252 -1.768906
O -3.609292 3.400916 1.007118
O 2.700494 0.205731 -1.729858
O 1.779984 -2.129135 -1.625522
N -3.425787 -0.963996 -0.496097
N -3.227901 1.337005 -0.932813
N 3.804655 1.207441 0.042595
C -3.068707 -2.224620 0.204092
C -4.185473 -3.274289 -0.016937
C -1.693072 -2.768909 -0.268657
C -4.225984 -3.810327 -1.471106
C -1.737205 -3.280694 -1.726728
C -2.842409 -4.347795 -1.913729
C -2.918480 0.252591 -0.079935
C -1.053982 3.205930 -0.281602
C 1.708923 3.519214 -0.090730
C 3.219940 3.665879 -0.004637
C -0.362583 3.656619 -1.417079
C -0.445780 2.910129 0.945839
C 1.035507 3.806504 -1.307254
C 0.954600 3.078187 1.026769
C 3.992099 2.485035 -0.662814
C 3.168709 0.128478 -0.522495
C 3.027933 -1.135819 0.252660
C 2.316181 -2.224073 -0.363920
C 3.565377 -1.322094 1.557646
C 2.152936 -3.446702 0.339113
C 3.398470 -2.541340 2.230694
C 2.688242 -3.610875 1.625800
H -3.000626 -1.966583 1.276454
H -3.985041 -4.123045 0.666230
H -5.164657 -2.848678 0.275352
H -0.928660 -1.980059 -0.152155
H -1.405001 -3.600563 0.407464
H -4.992795 -4.604651 -1.550041
H -4.547786 -3.010119 -2.173122
H -1.927030 -2.427170 -2.409997
H -0.747245 -3.683084 -2.009955
H -2.882860 -4.681753 -2.968548
H -2.592109 -5.241241 -1.304197
H -3.973037 -1.029391 -1.355140
H -3.878695 1.294137 -1.725962
H 3.544182 4.589444 -0.522255
H 3.537697 3.765363 1.051314
H -0.903560 3.897460 -2.337597
H -1.039888 2.552887 1.790311
H 1.604747 4.155843 -2.176576
H 1.460886 2.862420 1.974421
H 5.071903 2.729031 -0.690088
H 3.648256 2.326373 -1.697980
H 4.148879 1.136930 1.000119
H 4.124786 -0.522711 2.054997
H 1.605358 -4.256067 -0.151783
H 2.558570 -4.559737 2.153761
H 2.015683 -1.178904 -1.976731


