%chk=000047644.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047644

0 1
 S   -2.569600       1.482600     -0.1840000    
 O   -2.535000       2.065700      -1.511200    
 O   -2.961400       2.278900      0.9627000    
 O    4.980700      0.6856000     -0.9552000    
 O    4.861000      -1.729800      0.4109000    
 N   -1.077000      0.7264000      0.1402000    
 C   0.1882000       1.457800     -0.2088000    
 C  -0.9770000     -6.7199998E-02   1.390600    
 C    1.428500      0.5952000     -3.7799999E-02
 C   6.7400001E-02  -1.158800       1.192500    
 C    1.372500     -0.6277000      0.6570000    
 C   0.3099000       2.755300      0.5986000    
 C    2.654200       1.019800     -0.5763000    
 C    2.534600      -1.401700      0.7929000    
 C   -3.631700      7.2099999E-02 -0.2478000    
 C    3.805300      0.2472000     -0.4244000    
 C    3.745700     -0.9624000      0.2607000    
 C   -4.688600     -1.9800000E-02  0.6421000    
 C   -3.388300     -0.9164000      -1.186300    
 C   -5.526800      -1.133600      0.5921000    
 C   -4.226700      -2.030100      -1.236200    
 C   -5.295900      -2.138600     -0.3471000    
 C    5.806200       1.496500     -0.1213000    
 C    5.124000      -2.697000     -0.6039000    
 H   0.1232000       1.703800      -1.277100    
 H   -1.925300     -0.5401000       1.656800    
 H  -0.6986000      0.5880000       2.223800    
 H  -0.3110000      -1.903000      0.4803000    
 H   0.2332000      -1.666600       2.150000    
 H  -0.5426000       3.419000      0.4263000    
 H   0.3694000       2.561200       1.674900    
 H    1.209000       3.316100      0.3199000    
 H    2.710400       1.959600      -1.121400    
 H    2.491900      -2.355100       1.315200    
 H   -4.891100      0.7489000       1.380800    
 H   -2.559600     -0.8428000      -1.884400    
 H   -6.359700      -1.218300       1.283900    
 H   -4.047000      -2.812700      -1.967500    
 H   -5.948700      -3.005700     -0.3861000    
 H    6.104100      0.9470000      0.7773000    
 H    5.283300       2.417000      0.1568000    
 H    6.705900       1.761400     -0.6834000    
 H    5.256600      -2.210300      -1.575300    
 H    4.310600      -3.427600     -0.6572000    
 H    6.048400      -3.221000     -0.3463000    


%chk=000047644-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047644

0 1
S -2.662927 1.455533 -0.076545
O -2.463640 2.213191 -1.505209
O -3.191016 2.281342 1.236561
O 4.935966 0.636959 -1.187965
O 4.984437 -1.685161 0.605547
N -1.037083 0.536515 0.218102
C 0.136506 1.377654 -0.194850
C -0.944705 0.015180 1.608476
C 1.395955 0.524052 0.004143
C 0.153541 -1.069626 1.583016
C 1.419184 -0.593780 0.881399
C 0.252432 2.744889 0.538760
C 2.582403 0.908023 -0.665019
C 2.629470 -1.309807 1.048306
C -3.828008 -0.018826 -0.287330
C 3.788346 0.207103 -0.478656
C 3.806342 -0.936375 0.372463
C -4.812078 -0.202160 0.696216
C -3.698504 -0.823039 -1.431568
C -5.717533 -1.275849 0.524622
C -4.612668 -1.891084 -1.584082
C -5.614584 -2.116006 -0.608702
C 6.045484 1.108382 -0.325417
C 5.534826 -2.358806 -0.594638
H 0.000391 1.576549 -1.273435
H -1.913683 -0.434134 1.889133
H -0.709525 0.806096 2.349021
H -0.245423 -1.954710 1.050362
H 0.378092 -1.385769 2.619704
H -0.624062 3.379195 0.320486
H 0.337805 2.617771 1.631877
H 1.154913 3.276995 0.190501
H 2.593666 1.771136 -1.340012
H 2.674041 -2.187517 1.703101
H -4.869111 0.485120 1.547114
H -2.921887 -0.619680 -2.174832
H -6.500521 -1.449439 1.270042
H -4.544066 -2.541124 -2.462532
H -6.320321 -2.943909 -0.737170
H 6.354197 0.321765 0.386561
H 5.735825 2.014949 0.228476
H 6.868769 1.352883 -1.013711
H 5.744621 -1.629450 -1.397504
H 4.822599 -3.123161 -0.959459
H 6.464138 -2.843070 -0.258052


