%chk=000047456.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047456

0 1
 S    2.631000      -1.646000     -0.3805000    
 O   -1.106400       1.474800      3.2200001E-02
 O  -0.1665000      -1.097200     -0.4458000    
 O  -0.6006000      -1.619900       1.769200    
 N    2.553400     -3.7500001E-02 -0.8320000    
 N    1.563400      -1.807300      0.9490000    
 C    3.095900      0.3289000      -2.143700    
 C    2.931300      0.9840000      0.1498000    
 C   -1.349100       2.099300       1.291200    
 C   -1.962100      0.4833000     -0.3423000    
 C    2.556600       1.672200      -2.605100    
 C    4.441500       1.104700      0.2629000    
 C   -1.525600     -0.7996000     -0.5865000    
 C  -0.1496000       1.876900       2.199700    
 C   -1.627000       3.578500       1.071400    
 C   -3.320400      0.7672000     -0.4851000    
 C   -2.377000      -1.813600     -0.9661000    
 C   0.1996000      -1.517300      0.8394000    
 C   -4.206900     -0.2393000     -0.8681000    
 C   -3.735200      -1.529600      -1.108700    
 C    2.153600      -2.262800       2.199300    
 H    4.190000      0.2961000      -2.194700    
 H    2.748700     -0.4079000      -2.881700    
 H    2.482100       1.957900     -7.1699999E-02
 H    2.530100      0.7255000       1.137300    
 H   -2.220500       1.657100       1.793000    
 H    2.765800       1.802300      -3.673000    
 H    3.026300       2.515600      -2.090300    
 H    1.470400       1.738700      -2.477600    
 H    4.931700      0.1389000      0.4227000    
 H    4.895400       1.591400     -0.6053000    
 H    4.686600       1.731100       1.128500    
 H   0.7545000       2.309400       1.760000    
 H   4.4900000E-02  0.8139000       2.351100    
 H  -0.3078000       2.338200       3.179700    
 H  -0.7809000       4.063100      0.5717000    
 H   -2.496600       3.721300      0.4220000    
 H   -1.813800       4.093100       2.018900    
 H   -3.705300       1.768000     -0.3127000    
 H   -2.009800      -2.817700      -1.154000    
 H   -5.264100     -1.7700000E-02 -0.9816000    
 H   -4.425300      -2.313100      -1.407700    
 H    2.586400      -3.257300       2.052800    
 H    2.933300      -1.560200       2.510000    
 H    1.400700      -2.321300       2.989800    


%chk=000047456-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047456

0 1
S 2.626579 -1.948311 -0.399864
O -1.277184 1.179679 0.444929
O -0.232096 -1.251592 -0.346979
O -0.610541 -1.311835 1.987468
N 3.396450 -0.450280 -0.863559
N 1.530672 -1.669083 1.088430
C 2.627953 0.534721 -1.673552
C 4.520505 0.049992 -0.029100
C -1.833712 2.330020 1.218210
C -2.148705 0.306042 -0.205565
C 1.981963 1.685474 -0.870290
C 5.597403 0.768588 -0.866367
C -1.599924 -0.948683 -0.594352
C -0.882825 2.511994 2.406480
C -1.920015 3.568314 0.309494
C -3.503432 0.579775 -0.519406
C -2.366828 -1.886944 -1.303361
C 0.174931 -1.396154 1.011296
C -4.277510 -0.371762 -1.222202
C -3.714105 -1.601760 -1.625529
C 2.148668 -1.801852 2.423242
H 3.317814 0.946565 -2.436531
H 1.846196 -0.033091 -2.205283
H 4.152597 0.730179 0.770415
H 4.961744 -0.831323 0.468872
H -2.838064 2.040582 1.588054
H 1.474616 2.377186 -1.568829
H 2.736465 2.269558 -0.310845
H 1.221197 1.305096 -0.168696
H 5.957589 0.112941 -1.678368
H 5.218803 1.704281 -1.314892
H 6.455104 1.030889 -0.220222
H 0.131563 2.767447 2.050739
H -0.824050 1.577840 2.989666
H -1.239397 3.327245 3.062424
H -0.913794 3.831163 -0.062502
H -2.573012 3.393137 -0.562906
H -2.318215 4.431209 0.874803
H -3.956274 1.533115 -0.231905
H -1.898461 -2.835235 -1.584782
H -5.322291 -0.142067 -1.458713
H -4.312257 -2.334757 -2.175847
H 2.845675 -2.656558 2.423963
H 2.705060 -0.885585 2.698984
H 1.355842 -1.970056 3.170376


