%chk=000001716.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001716

0 1
 S   -3.906600       1.371500      0.2152000    
 O   -4.464300       2.098000       1.340800    
 O   -4.272300       1.726200      -1.143600    
 O   -4.811600      -2.479300      -2.325400    
 O   -6.142600      -1.221700     -0.9681000    
 O    2.615900       2.336600       1.559300    
 O    6.049300       1.124700      -1.926600    
 O    3.957600      0.8511000      -2.763300    
 O    4.734600      -3.927600      0.3797000    
 O    5.747400      -2.534300       1.856500    
 N   -4.139600     -0.2974000      0.4452000    
 N    2.823800       1.009200     -0.3304000    
 C   -3.751100      -1.216300     -0.6604000    
 C   -3.045500      -2.391700      6.8999999E-03
 C   -3.669200     -0.8835000       1.730200    
 C   -3.564900      -2.370300       1.434800    
 C   -5.036000      -1.614400      -1.306200    
 C   -2.146200       1.468900      0.3388000    
 C   -1.358100       1.328800     -0.8035000    
 C   -1.544900       1.684500       1.579000    
 C   0.6326000       1.619900      0.5342000    
 C   3.1300001E-02   1.404400     -0.7059000    
 C  -0.1556000       1.760000       1.676600    
 C    4.268500      0.9715000     -0.3507000    
 C    4.842500     -0.1835000      0.4787000    
 C    2.081100       1.698000      0.6356000    
 C    4.468500      -1.594800      7.7000000E-03
 C    4.706400      0.9596000      -1.800800    
 C    5.049000      -2.698100      0.8658000    
 H   -3.118000     -0.7434000      -1.413100    
 H   -1.963300      -2.211500      1.3700000E-02
 H   -3.221100      -3.357600     -0.4755000    
 H   -4.388500     -0.6860000       2.529600    
 H   -2.686400     -0.5263000       2.031400    
 H   -2.905200      -2.892400       2.133500    
 H   -4.555500      -2.838200       1.482300    
 H   -1.802900       1.173800      -1.782100    
 H   -2.137900       1.800400       2.481900    
 H   -5.645400      -2.755000      -2.762300    
 H   0.6049000       1.322500      -1.624500    
 H   0.2936000       1.924800       2.652500    
 H    4.622400       1.918600      7.5800002E-02
 H    4.517600     -6.6900000E-02   1.521200    
 H    5.937300     -0.1028000      0.4941000    
 H    2.345600      0.4355000      -1.017500    
 H    4.829700      -1.746900      -1.015400    
 H    3.379000      -1.710000      1.7000001E-02
 H    6.329900       1.133000      -2.866500    
 H    5.124000      -4.645700      0.9228000    


%chk=000001716-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000001716

0 1
S -3.546394 0.771987 -0.154560
O -4.232327 1.889893 0.813544
O -3.820112 0.695551 -1.764980
O -6.092693 -1.813143 -2.316082
O -6.610850 -0.430193 -0.517949
O 2.986895 1.659457 1.847898
O 6.782764 1.944660 -1.550327
O 4.794421 1.544648 -2.682589
O 5.863178 -3.498197 -0.178599
O 6.595161 -2.245701 1.635334
N -3.852763 -0.973520 0.515425
N 3.406001 1.190873 -0.382125
C -4.573966 -1.856816 -0.446769
C -4.964823 -3.020278 0.512149
C -4.558481 -0.987555 1.852103
C -5.412973 -2.289205 1.810519
C -5.842667 -1.250383 -1.064442
C -1.679054 0.924501 0.086509
C -0.839406 0.436489 -0.926189
C -1.211237 1.543890 1.256082
C 1.072979 1.186685 0.423238
C 0.554032 0.572807 -0.747943
C 0.183722 1.665669 1.419262
C 4.852989 1.383310 -0.217594
C 5.557214 0.196889 0.508015
C 2.548520 1.361646 0.690220
C 5.399617 -1.140230 -0.235531
C 5.433009 1.627118 -1.606893
C 6.016895 -2.295142 0.529028
H -3.907461 -2.183050 -1.257760
H -4.066655 -3.635315 0.691572
H -5.748731 -3.662711 0.077205
H -5.186244 -0.087118 1.982729
H -3.789858 -1.009616 2.643771
H -5.250671 -2.914840 2.703347
H -6.483987 -2.032980 1.756998
H -1.263379 -0.014758 -1.828641
H -1.916975 1.934893 1.995770
H -6.917724 -1.410862 -2.701609
H 1.218163 0.172692 -1.522037
H 0.612630 2.128160 2.313577
H 5.029623 2.283852 0.403712
H 5.121518 0.127665 1.518769
H 6.625050 0.447553 0.629217
H 3.067052 1.120004 -1.346604
H 5.867171 -1.117463 -1.239601
H 4.331310 -1.376156 -0.404197
H 7.136037 2.100372 -2.467982
H 6.273280 -4.240133 0.344010


