%chk=000068817.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068817

0 1
 S  -0.1983000       2.406400      -1.634600    
 O    3.114900     -0.1508000      -1.216100    
 O   -2.988300     -0.6999000      -1.045400    
 O    3.060000      0.4142000       1.028300    
 O   -2.901300     -0.1042000       1.190000    
 N   0.3473000      -3.094100      0.4519000    
 N  -0.2072000       3.298700      0.8697000    
 C   8.6199999E-02 -0.3397000     -0.1498000    
 C    1.436100      -1.027200      7.8199998E-02
 C   -1.109200      -1.253400      0.1482000    
 C  -1.5000000E-03  0.9062000      0.6844000    
 C    1.511700      -2.352300      0.3358000    
 C  -0.9351000      -2.568200      0.4142000    
 C    2.628400     -0.1647000      4.8400000E-02
 C   -2.433700     -0.6125000      0.1877000    
 C    2.783900      -3.134000      0.5220000    
 C   -2.035100      -3.560300      0.6788000    
 C  -0.1278000       2.166100      0.1358000    
 C   4.7600001E-02  0.7840000       2.063500    
 C  -3.1199999E-02   1.926300       2.852300    
 C  -0.1568000       3.148900       2.212400    
 C    4.285100      0.6510000      -1.407300    
 C   -4.289100     -0.1157000      -1.168600    
 C   -1.819200       3.197200      -1.829600    
 C    4.707900      0.5681000      -2.858600    
 C   -4.775200     -0.2899000      -2.591700    
 H   3.8600001E-02 -0.1398000      -1.224700    
 H   0.4409000      -4.084700      0.6472000    
 H    2.846000      -3.936700     -0.2206000    
 H    3.682100      -2.519200      0.4161000    
 H    2.808000      -3.584300       1.520100    
 H   -3.032400      -3.114100      0.6291000    
 H   -1.999900      -4.369500     -5.8499999E-02
 H   -1.918100      -3.996800       1.676500    
 H   0.1464000     -0.1817000       2.551600    
 H   4.4000000E-03   1.861900       3.933700    
 H  -0.2223000       4.069800       2.782200    
 H    4.061200       1.691300      -1.145600    
 H    5.091300      0.2797000     -0.7647000    
 H   -4.242600      0.9489000     -0.9173000    
 H   -4.978700     -0.6181000     -0.4807000    
 H   -1.821200       4.182600      -1.356200    
 H   -2.035600       3.319300      -2.893900    
 H   -2.599500       2.579800      -1.380300    
 H    3.904300      0.9195000      -3.514300    
 H    4.917300     -0.4691000      -3.140200    
 H    5.601800       1.171100      -3.040700    
 H   -4.087400      0.1922000      -3.294300    
 H   -4.811600      -1.351000      -2.859600    
 H   -5.771500      0.1419000      -2.720400    


%chk=000068817-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000068817

0 1
S -0.588222 2.310013 -1.416703
O 2.201904 0.181904 -1.509479
O -2.349350 -0.291818 -1.299640
O 3.812075 -0.908346 -0.233927
O -3.518756 -2.009772 -0.244389
N 0.369578 -2.981928 1.512854
N -0.468899 3.010456 1.208400
C 0.030241 -0.641785 -0.070942
C 1.407044 -1.297499 0.163143
C -1.115733 -1.641145 0.192264
C -0.121076 0.606214 0.835562
C 1.535360 -2.386375 1.004609
C -0.924913 -2.721947 1.035459
C 2.590153 -0.699313 -0.492508
C -2.433849 -1.384062 -0.424730
C 2.805795 -3.093342 1.421702
C -1.952824 -3.729071 1.502127
C -0.371754 1.939432 0.374393
C -0.000876 0.449809 2.238931
C -0.113052 1.550687 3.115374
C -0.341374 2.820618 2.549712
C 3.304137 0.866969 -2.244801
C -3.586049 0.111981 -2.022902
C -0.650235 4.189158 -1.353031
C 2.684544 1.481742 -3.496306
C -3.641435 -0.562638 -3.397389
H -0.022784 -0.308308 -1.118403
H 0.487154 -3.786018 2.131642
H 2.876129 -4.083637 0.931302
H 3.686413 -2.499147 1.145371
H 2.813228 -3.258958 2.517319
H -2.962811 -3.412891 1.211530
H -1.758571 -4.721625 1.050603
H -1.903112 -3.843951 2.602753
H 0.191044 -0.548320 2.645491
H -0.021747 1.431037 4.199101
H -0.426601 3.719002 3.171791
H 3.737167 1.630144 -1.572028
H 4.090885 0.125733 -2.472702
H -3.489346 1.206423 -2.105477
H -4.457831 -0.159760 -1.403102
H 0.279854 4.583627 -0.920281
H -0.765061 4.508365 -2.402028
H -1.502580 4.514683 -0.741896
H 1.865045 2.167783 -3.222841
H 2.273607 0.698887 -4.156752
H 3.453712 2.044721 -4.056434
H -2.727519 -0.346127 -3.976256
H -3.746888 -1.656168 -3.295434
H -4.510220 -0.182238 -3.966655


