%chk=000048779.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048779

0 1
 S   -2.166700     -0.8395000     -0.5769000    
 O   7.9899997E-02  -2.284900      0.1115000    
 O   0.9912000       2.318600      0.2765000    
 O    4.403100     -0.7470000      0.1451000    
 N    2.237700      -1.510600      2.8300000E-02
 N    2.693000      0.7890000      0.1114000    
 C   0.4046000      6.3900001E-02 -0.3962000    
 C  -0.9877000      0.3182000      0.1996000    
 C   0.3216000      0.1356000      -1.931500    
 C  -0.9534000      0.1737000       1.725100    
 C   0.8622000      -1.346800     -3.9000001E-02
 C    1.359600       1.166000      5.1399998E-02
 C  -9.5500000E-02   1.515800      -2.386900    
 C   -3.654200     -0.3104000      0.2999000    
 C   6.4400002E-02   1.084300       2.401300    
 C    3.196400     -0.5059000      8.1699997E-02
 C   -3.923100       1.162100      1.4000000E-02
 C   -4.833200      -1.182100     -0.1156000    
 H   -1.297300       1.340800     -2.4900001E-02
 H  -0.3035000     -0.6347000      -2.393600    
 H    1.319000     -5.4800000E-02  -2.354600    
 H   -1.917700      0.4599000       2.155300    
 H  -0.7747000     -0.8586000       2.046600    
 H  -0.1559000       1.513000      -3.482500    
 H   -1.084800       1.820200      -2.038900    
 H   0.6308000       2.294500      -2.141200    
 H   -3.539300     -0.4692000       1.374800    
 H  -9.5500000E-02   2.141700       2.181700    
 H  -0.1235000       1.015500       3.483100    
 H    1.099700      0.7548000       2.316300    
 H    2.577100      -2.463100      0.1288000    
 H    3.367700       1.531400      0.2732000    
 H   -4.924800       1.433600      0.3692000    
 H   -3.237500       1.831200      0.5401000    
 H   -3.893500       1.391900      -1.057200    
 H   -5.736700     -0.8919000      0.4325000    
 H   -4.646500      -2.239400      0.1037000    
 H   -5.053600      -1.086000      -1.185000    


%chk=000048779-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048779

0 1
S -2.292866 -0.950139 -0.329718
O 0.592962 -2.409700 0.003964
O 0.774310 2.432502 0.155066
O 4.639910 -0.134659 0.192540
N 2.580196 -1.236554 0.063431
N 2.669518 1.120136 0.080944
C 0.438831 0.028485 -0.310431
C -0.914397 0.102867 0.482178
C 0.268133 0.043751 -1.897491
C -0.805925 -0.301705 1.975934
C 1.173523 -1.296953 -0.040575
C 1.270780 1.283871 0.023355
C -0.439361 1.275749 -2.488123
C -3.820079 0.109702 0.162733
C 0.209477 0.499856 2.825938
C 3.387841 -0.087974 0.109638
C -3.940519 1.394031 -0.673887
C -5.046542 -0.809089 0.013722
H -1.253440 1.151247 0.398799
H -0.303999 -0.867666 -2.148158
H 1.276711 -0.060665 -2.346530
H -1.812534 -0.173160 2.418194
H -0.585850 -1.382969 2.033593
H -0.465829 1.176975 -3.588903
H -1.480310 1.339252 -2.132928
H 0.072566 2.220627 -2.240229
H -3.671858 0.360542 1.229997
H 0.034592 1.588354 2.756235
H 0.121719 0.204091 3.887087
H 1.257359 0.306037 2.527486
H 3.075539 -2.131658 0.135182
H 3.230156 1.972264 0.185970
H -4.824133 1.977683 -0.348155
H -3.055655 2.046514 -0.565045
H -4.063980 1.149949 -1.744406
H -5.964403 -0.264124 0.304247
H -4.955733 -1.706354 0.649857
H -5.167312 -1.140316 -1.034411


