%chk=000103548.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103548

0 1
 S   -1.984400      -2.602300      -1.617000    
 O   0.4567000     -0.9578000       1.981600    
 O   -5.295400      0.6600000     -0.9410000    
 O   -2.823700     -0.8655000       2.888500    
 O    3.101900      -2.105400      0.7960000    
 O   -2.515500       1.288800       2.185300    
 O    5.309800      -1.674600     -0.7973000    
 O   -4.417800       2.476000      0.1857000    
 N   -1.197600     -0.9438000      0.3012000    
 N    1.761700      -1.324600     -0.9315000    
 C  -0.8245000      -1.340200      -1.044400    
 C   0.4948000      -1.850800     -0.4247000    
 C   4.9999999E-03  -1.156700      0.8781000    
 C   -2.441100     -0.5212000      0.6460000    
 C   -3.504900     -0.7131000     -0.1699000    
 C   -3.429200      -1.496000      -1.478900    
 C   -4.898900     -0.2021000      0.1046000    
 C    2.974900      -1.500300     -0.2664000    
 C   -2.592000      9.5399998E-02   1.972500    
 C    4.152100     -0.8792000      -1.005000    
 C    4.432800      0.5255000     -0.5257000    
 C    3.803700       1.592400      -1.146400    
 C    5.313700      0.7203000      0.5259000    
 C   -4.993300       1.988100     -0.7775000    
 C    4.062500       2.889600     -0.7037000    
 C    5.572500       2.017500      0.9686000    
 C    4.946900       3.102100      0.3537000    
 C   -5.470600       2.777900      -1.958400    
 H  -0.7083000     -0.4825000      -1.718300    
 H   0.5558000      -2.940800     -0.3040000    
 H   -3.418800     -0.7989000      -2.323800    
 H   -4.312500      -2.135000      -1.582500    
 H    1.771300     -0.8072000      -1.807200    
 H   -5.004100      0.2834000       1.081100    
 H   -5.597000      -1.047300      0.1233000    
 H    3.965200     -0.8727000      -2.085600    
 H   -2.931500     -0.4968000       3.791100    
 H    5.150700      -2.537500      -1.216700    
 H    3.112900       1.437500      -1.970100    
 H    5.802400     -0.1076000       1.031000    
 H    3.575100       3.734100      -1.182000    
 H    6.258400       2.183200       1.794300    
 H    5.147600       4.112000      0.6991000    
 H   -5.220300       3.832800      -1.814800    
 H   -4.975200       2.422300      -2.865200    
 H   -6.555600       2.686000      -2.050800    


%chk=000103548-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000103548

0 1
S -1.627785 -2.626967 -1.307170
O 0.370721 -0.486682 2.333993
O -5.536019 0.267773 -0.981124
O -3.705783 0.449322 2.704324
O 2.981318 -2.830252 -1.067515
O -1.879867 1.719026 2.031534
O 5.352024 -1.755423 -1.656269
O -4.979492 2.286354 0.055939
N -1.137148 -0.493725 0.403558
N 1.956679 -0.788962 -0.590137
C -0.614808 -1.102154 -0.839281
C 0.737004 -1.384177 -0.088848
C 0.058118 -0.714158 1.158665
C -2.485234 -0.240844 0.725751
C -3.502780 -0.777614 -0.032975
C -3.268716 -1.670197 -1.243574
C -4.963261 -0.465287 0.208813
C 3.006203 -1.560968 -1.041034
C -2.638168 0.744847 1.853086
C 4.257729 -0.804723 -1.585996
C 4.635776 0.408914 -0.746178
C 4.174313 1.699397 -1.107924
C 5.421914 0.251749 0.421149
C -5.474891 1.671881 -0.913636
C 4.475254 2.819765 -0.298293
C 5.725979 1.370648 1.225515
C 5.247867 2.655934 0.873483
C -6.093174 2.282379 -2.151488
H -0.567028 -0.406781 -1.691522
H 0.914354 -2.463890 0.064258
H -3.354445 -1.082306 -2.175240
H -4.047156 -2.451904 -1.283594
H 2.111201 0.218254 -0.479601
H -5.124337 0.131486 1.115717
H -5.564747 -1.388867 0.240859
H 3.983431 -0.465164 -2.610939
H -3.767886 1.163242 3.395897
H 4.940406 -2.666728 -1.605151
H 3.607697 1.838026 -2.038712
H 5.806182 -0.742556 0.669327
H 4.118001 3.814373 -0.586995
H 6.336349 1.243516 2.126430
H 5.483780 3.521978 1.501514
H -6.014017 3.377636 -2.102469
H -5.584792 1.909622 -3.057262
H -7.154563 1.989205 -2.228086


