%chk=000113832.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113832

0 1
 S    1.102200      0.4561000      -1.838100    
 O   0.1125000      0.5727000      -2.870200    
 O    2.011100       1.512600      -1.497800    
 N   -2.390800      -2.870100      4.8000000E-02
 C   0.1819000      7.6200001E-02 -0.3048000    
 C  -0.7396000      -1.142200     -0.6515000    
 C   -1.667100      -1.669500      0.4697000    
 C  -0.6736000       1.312200      3.2299999E-02
 C    1.344600     -0.2091000      0.6706000    
 C    2.013100      -1.036500      -2.075900    
 C   -2.686600     -0.5972000      0.8620000    
 C  -0.8030000       1.671600       1.349100    
 C    1.926100      0.8537000       1.308900    
 C   -1.264100       1.993500      -1.000700    
 C    1.733900      -1.510000      0.8472000    
 C    2.875800     -0.9681000      -3.316200    
 C   -3.248800      -2.572000      -1.097700    
 C   -3.182000      -3.403800       1.155300    
 C   -1.577500       2.790800       1.654300    
 C    2.976200      0.5963000       2.190200    
 C   -2.038400       3.112900     -0.6953000    
 C    2.784000      -1.767300       1.728500    
 C   -2.195000       3.511400      0.6323000    
 C    3.405100     -0.7142000       2.400000    
 H   -1.366900     -0.8360000      -1.497800    
 H  -0.1847000      -2.004300      -1.022600    
 H   -1.052300      -1.920600       1.342000    
 H    2.721800      -1.184500      -1.267100    
 H    1.351100      -1.891000      -2.189700    
 H   -2.348000     -6.4900003E-02   1.749100    
 H   -2.950800      8.2000002E-02  4.8300002E-02
 H   -3.649900     -0.9773000       1.211800    
 H  -0.4014000       1.105700       2.182300    
 H    1.680100       1.894000       1.129100    
 H   -1.323200       1.717300      -2.035100    
 H    1.281700      -2.364000      0.3610000    
 H    3.444100      -1.895400      -3.440900    
 H    2.265400     -0.8211000      -4.213300    
 H    3.588000     -0.1382000      -3.259800    
 H   -2.673700      -2.345500      -2.000400    
 H   -3.986800      -1.780700     -0.9337000    
 H   -3.818100      -3.473200      -1.360600    
 H   -3.454600      -4.440100      0.9202000    
 H   -4.123500      -2.882600       1.353200    
 H   -2.600600      -3.453100       2.083200    
 H   -1.714500       3.091100       2.689100    
 H    3.471000       1.417300       2.701000    
 H   -2.544300       3.658700      -1.486700    
 H    3.117800      -2.787700       1.893500    
 H   -2.806700       4.376500      0.8709000    
 H    4.224900     -0.9144000       3.083600    


%chk=000113832-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000113832

0 1
S 1.104497 0.626816 -2.007681
O 0.055861 0.554729 -3.284150
O 1.999871 1.992418 -1.817095
N -2.127445 -2.792130 0.425349
C -0.063209 0.166818 -0.132833
C -1.068948 -0.826985 -0.717567
C -2.131558 -1.298502 0.345529
C -0.649540 1.511953 0.219170
C 1.018011 -0.381853 0.749791
C 2.385913 -0.822259 -2.299678
C -3.520315 -0.663059 0.072175
C -0.612780 2.000487 1.554522
C 2.089343 0.463403 1.170170
C -1.333624 2.279884 -0.766565
C 1.040006 -1.754379 1.131057
C 3.078932 -0.564444 -3.635667
C -2.674684 -3.482513 -0.762980
C -2.695707 -3.319633 1.683219
C -1.249354 3.213556 1.896392
C 3.145254 -0.050228 1.949018
C -1.951172 3.499131 -0.425787
C 2.094769 -2.257940 1.923352
C -1.918667 3.970008 0.908555
C 3.152734 -1.413406 2.332564
H -1.569874 -0.362538 -1.585535
H -0.535543 -1.718895 -1.092170
H -1.796782 -0.955453 1.344854
H 3.050502 -0.771798 -1.423964
H 1.771304 -1.736533 -2.282861
H -3.450175 0.437801 0.119180
H -3.893446 -0.933679 -0.932329
H -4.265875 -0.989797 0.820883
H -0.099615 1.423230 2.330210
H 2.101654 1.512267 0.855416
H -1.349576 1.935801 -1.808246
H 0.219418 -2.421752 0.833132
H 3.809679 -1.371365 -3.831942
H 2.347664 -0.544983 -4.461856
H 3.618901 0.397870 -3.619350
H -2.226586 -3.071706 -1.684025
H -3.784024 -3.401435 -0.856720
H -2.418672 -4.556535 -0.710382
H -2.510863 -4.408041 1.740179
H -3.797049 -3.159631 1.785949
H -2.197189 -2.842212 2.545979
H -1.220499 3.566945 2.933207
H 3.966309 0.609593 2.250426
H -2.452558 4.086479 -1.202712
H 2.090721 -3.312966 2.220148
H -2.403784 4.916363 1.172532
H 3.973672 -1.810904 2.939937


