%chk=000108087.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108087

0 1
 S   -4.178700      -1.052000      -1.757900    
 S    5.258200      -2.542300      0.8136000    
 O   -2.087400      0.4952000       2.318700    
 O   -1.538200      -2.912200      -2.023600    
 O   -4.798800      -2.517900      -2.141700    
 O   -3.692300     -0.4598000      -3.000300    
 O   -5.196500     -0.3483000     -0.9840000    
 O   0.8593000      6.9300003E-02   1.781100    
 O   -3.718300      0.3466000       3.936600    
 O    1.313300       1.938500     -0.6586000    
 O   0.3843000       5.061400      -2.143400    
 O  -0.8656000       3.529400      -1.012700    
 N   -2.866400      -1.400300     -0.7607000    
 N   0.3762000      -1.032000     -0.2332000    
 N    2.541700       1.265600     -0.6010000    
 N   -1.807000       1.578700       4.277000    
 N    4.850300     -0.2691000     -0.3476000    
 N    7.066200      -1.083100     -0.4801000    
 C   -2.107000     -0.5338000      0.1663000    
 C  -0.9526000      -1.557700      0.1208000    
 C   -1.728100      -2.168800      -1.089200    
 C   -2.855700     -0.3408000       1.461300    
 C    1.128400     -0.2776000      0.6422000    
 C    2.449100      0.1483000      5.5000000E-02
 C   -2.635600      0.7669000       3.542600    
 C    3.650400     -0.6802000      0.1995000    
 C    3.674300      -1.886900      0.8670000    
 C    5.768200      -1.172900     -8.6000003E-02
 C    1.503200       3.140900      -1.388200    
 C   0.2053000       3.895100      -1.473500    
 H   -1.866300      0.4244000     -0.3157000    
 H  -0.9010000      -2.250300      0.9691000    
 H   -3.044600      -1.301100       1.956800    
 H   -3.816600      0.1519000       1.274900    
 H   0.7660000      -1.226000      -1.152700    
 H   -5.584100      -2.498400      -2.737600    
 H  -0.9192000       1.900700       3.906600    
 H   -2.056900       1.881200       5.212400    
 H    2.873100      -2.408900       1.370800    
 H    2.240000       3.766300     -0.8727000    
 H    1.838000       2.902800      -2.403600    
 H    7.409100     -0.2910000      -1.013500    
 H    7.743700      -1.804700     -0.2569000    
 H  -0.4487000       5.574900      -2.213400    


%chk=000108087-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000108087

0 1
S -4.836698 0.048855 -1.443540
S 5.445540 -1.784309 2.109554
O -1.854943 0.099454 2.541558
O -2.037627 -2.069169 -2.237333
O -5.607623 -1.505163 -0.811069
O -4.987002 0.074809 -3.043052
O -5.297392 1.303932 -0.544084
O 0.974846 -1.125726 1.591008
O -3.010998 -0.949976 4.314947
O 1.426318 1.489195 -1.483520
O 0.489956 3.767889 -4.110233
O -0.719651 2.205700 -2.873569
N -3.179128 -0.374095 -0.880568
N 0.026018 -0.307847 -0.367311
N 2.669413 1.033956 -0.866342
N -0.656081 -0.998702 4.113666
N 4.908603 0.160723 0.328134
N 7.243679 -0.058852 0.795677
C -2.426695 0.238303 0.273682
C -1.292843 -0.810426 -0.068437
C -2.154709 -1.279219 -1.300577
C -3.044907 0.083992 1.668700
C 1.091615 -0.489432 0.492323
C 2.441839 0.089544 0.053264
C -1.932836 -0.663451 3.742118
C 3.672362 -0.416936 0.697430
C 3.749497 -1.454748 1.624410
C 5.924163 -0.404581 0.946755
C 1.706545 2.494948 -2.501488
C 0.356909 2.773676 -3.147506
H -2.120796 1.275494 0.062281
H -1.223753 -1.593491 0.703980
H -3.594165 -0.870144 1.774344
H -3.720243 0.917386 1.922442
H 0.159656 0.332099 -1.166733
H -6.484307 -1.626579 -1.281373
H 0.101254 -0.914574 3.426429
H -0.521416 -1.487583 4.994503
H 2.933265 -2.023163 2.057401
H 2.120941 3.412687 -2.046757
H 2.425600 2.112862 -3.248766
H 7.470529 0.695867 0.151555
H 7.986008 -0.528046 1.304929
H -0.388041 3.946842 -4.544328


