%chk=000102508.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102508

0 1
 S   -3.284800     -0.2268000       1.064700    
 S   -4.857500     -0.5028000     -0.2911000    
 O   -6.102000      -1.000000      0.6367000    
 O   -5.196800      0.7989000     -0.8330000    
 O   -4.488000      -1.598500      -1.166500    
 N   0.4014000       1.022100     -7.4699998E-02
 C    1.622200       1.275400      0.6919000    
 C    2.291600     -4.4599999E-02   1.118600    
 C    2.579700       2.180600     -0.1115000    
 C    2.747000     -0.9606000     -2.7200000E-02
 C    3.353900      -2.303800      0.3885000    
 C    2.204900       3.666200     -0.1440000    
 C  -0.6731000      0.5820000      0.8005000    
 C    3.746100      -3.186900     -0.7963000    
 C    3.239500       4.478700     -0.9093000    
 C   -1.932900      0.3234000     -1.6400000E-02
 C    4.348800      -4.503500     -0.3309000    
 H    1.374100       1.824800       1.610700    
 H    3.173400      0.1980000       1.727100    
 H    1.636000     -0.6124000       1.788300    
 H    2.671300       1.808700      -1.140700    
 H    3.583200       2.102000      0.3282000    
 H    3.483500     -0.4275000     -0.6405000    
 H    1.890300      -1.165700     -0.6808000    
 H   0.1088000       1.871000     -0.5569000    
 H    2.631700      -2.840800       1.015900    
 H    4.236600      -2.116400       1.012400    
 H    1.225400       3.800800     -0.6151000    
 H    2.129800       4.051700      0.8792000    
 H  -0.4041000     -0.3444000       1.318200    
 H  -0.8781000       1.348700       1.558700    
 H    2.864600      -3.391300      -1.414900    
 H    4.471200      -2.660400      -1.427400    
 H    3.319100       4.135700      -1.945700    
 H    4.226500       4.397500     -0.4427000    
 H    2.956300       5.535900     -0.9221000    
 H   -1.750900     -0.4503000     -0.7702000    
 H   -2.251200       1.234400     -0.5348000    
 H    5.251100      -4.333100      0.2650000    
 H    4.622400      -5.120300      -1.192600    
 H    3.635600      -5.067900      0.2782000    
 H   -6.942200      -1.181300      0.1539000    


%chk=000102508-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000102508

0 1
S -3.643326 0.940753 1.012366
S -4.205586 -0.923176 -0.550462
O -3.724961 -2.325802 0.583573
O -5.765054 -1.133324 -0.930712
O -3.113100 -0.861857 -1.754117
N 0.359331 1.396636 0.110453
C 1.666141 1.426923 0.807223
C 2.198429 0.004781 1.180997
C 2.678462 2.245969 -0.031128
C 2.476418 -0.928361 -0.019143
C 2.944027 -2.335069 0.418941
C 2.341383 3.752255 -0.101096
C -0.819783 0.888159 0.815495
C 3.216298 -3.285151 -0.769965
C 3.320643 4.542420 -0.994653
C -2.082650 1.416024 0.104289
C 3.689270 -4.685558 -0.324058
H 1.495960 1.969458 1.762239
H 3.127152 0.131322 1.774402
H 1.463564 -0.483229 1.853827
H 2.730667 1.833805 -1.061003
H 3.688063 2.111393 0.406203
H 3.247695 -0.479914 -0.677245
H 1.557157 -1.032397 -0.633420
H 0.417960 1.111392 -0.875402
H 2.175672 -2.787783 1.079969
H 3.865027 -2.241690 1.031932
H 1.305473 3.870226 -0.473367
H 2.353131 4.172768 0.925467
H -0.883393 -0.222475 0.872932
H -0.786065 1.263859 1.856038
H 2.293323 -3.380837 -1.377422
H 3.979478 -2.829375 -1.433665
H 3.299899 4.167483 -2.035587
H 4.360540 4.451537 -0.627159
H 3.064987 5.617465 -1.019363
H -2.158787 0.977475 -0.913595
H -2.074209 2.517174 0.003760
H 4.626093 -4.620028 0.260987
H 3.877767 -5.344421 -1.191426
H 2.929679 -5.175837 0.313668
H -4.228378 -3.135795 0.270626


