%chk=000111631.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000111631

0 1
 S   -5.614000      -1.058000       1.244000    
 S    5.470300     -0.8836000       1.194300    
 O   -1.344900      0.8949000      -2.327000    
 O   0.7366000      -1.455500      -2.277900    
 O   0.8067000       4.255600       1.092700    
 O   -5.100900      -2.518600       1.769200    
 O    6.095700      0.5825000      0.8308000    
 O   0.8772000       3.752000      -1.121700    
 O   -6.791800      -1.264000      0.4156000    
 O   -5.667900     -0.1836000       2.406500    
 O    6.423700      -1.898300      0.7734000    
 O    5.014600     -0.8203000       2.575200    
 N   0.1281000       1.127600     -5.3199999E-02
 C   -1.176700       1.559600      0.4463000    
 C   0.3715000     -0.2715000      0.2962000    
 C   -2.298800      0.7403000     -0.1336000    
 C    1.708600     -0.7501000     -0.2038000    
 C    1.188500       1.980300      0.4827000    
 C   -3.300600      0.2831000      0.7126000    
 C    2.819300     -0.6122000      0.6184000    
 C   -2.324300      0.4496000      -1.491100    
 C    1.822000      -1.317100      -1.466200    
 C   -4.346800     -0.4782000      0.1916000    
 C    4.065600      -1.049300      0.1700000    
 C   -3.370500     -0.3117000      -2.012100    
 C    3.068300      -1.754200      -1.914700    
 C   -4.381800     -0.7756000      -1.170800    
 C    4.190100      -1.620400      -1.096600    
 C   0.9319000       3.397000      4.8900001E-02
 H   -1.197100       1.512600       1.544000    
 H   -1.399000       2.598500      0.1731000    
 H  -0.4010000     -0.9598000     -6.3800000E-02
 H   0.3441000     -0.3982000       1.389400    
 H    1.249200       1.931000       1.577100    
 H    2.179100       1.766400      7.1000002E-02
 H   -3.262600      0.5141000       1.773600    
 H    2.716000     -0.1751000       1.607900    
 H   -3.402200     -0.5486000      -3.072100    
 H    3.172200      -2.198200      -2.901000    
 H   -5.181900      -1.373200      -1.598200    
 H    5.151400      -1.961000      -1.470600    
 H  -0.7543000       1.510300      -1.864900    
 H   4.8000000E-02 -0.8219000      -2.023600    
 H   0.6570000       5.177200      0.7921000    
 H   -4.263900      -2.510200       2.290700    
 H    5.503700       1.350700       1.009600    


%chk=000111631-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000111631

0 1
S -6.126552 -0.944886 1.009619
S 5.791299 -0.945728 1.060482
O -1.053429 0.506458 -1.884248
O 0.820992 -1.223840 -2.320228
O 1.579088 4.540172 0.253493
O -5.548307 -2.618026 1.583841
O 6.353270 0.734740 0.483745
O -0.246927 3.753847 -0.958877
O -7.346630 -1.161101 -0.030733
O -6.306067 0.004947 2.309125
O 6.872344 -2.037032 0.552089
O 5.396446 -0.837538 2.627964
N 0.038093 1.176521 0.224492
C -1.327966 1.400979 0.844942
C 0.567016 -0.210336 0.573370
C -2.393309 0.561835 0.147942
C 1.854197 -0.597594 -0.132759
C 1.004869 2.249605 0.566350
C -3.576710 0.200034 0.819047
C 3.059958 -0.558010 0.608591
C -2.236201 0.188286 -1.226443
C 1.900592 -1.100584 -1.482289
C -4.566449 -0.495741 0.106602
C 4.252065 -1.008887 0.029917
C -3.257562 -0.509223 -1.915594
C 3.134232 -1.575230 -2.018399
C -4.443414 -0.862234 -1.245396
C 4.322464 -1.527772 -1.276532
C 0.675339 3.558410 -0.141762
H -1.299473 1.187428 1.933163
H -1.565646 2.470857 0.705572
H -0.244360 -0.917542 0.322999
H 0.719948 -0.259974 1.669736
H 1.056041 2.434530 1.659975
H 2.015380 1.939307 0.247352
H -3.741693 0.467001 1.869203
H 3.062538 -0.214333 1.650016
H -3.104242 -0.764784 -2.967541
H 3.119098 -1.968879 -3.038121
H -5.253030 -1.391647 -1.756746
H 5.268839 -1.892213 -1.687318
H -0.413002 1.027709 -1.104175
H 0.007593 -0.608232 -2.163940
H 1.390936 5.394256 -0.222246
H -6.311305 -3.050644 2.067459
H 7.258035 0.899988 0.880259


