%chk=000102361.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102361

0 1
 S    1.948900       1.727600      0.1650000    
 S   -5.939900       1.769200      4.1999999E-02
 O   -3.343300       1.716800      7.6399997E-02
 O   -2.248200      -1.615500     -0.4002000    
 N    2.239500     -0.9061000     -0.2207000    
 N   -4.234800     -0.3681000     -0.2471000    
 C    3.545000     -0.3870000     -0.1238000    
 C    1.272500      9.2200004E-02 -8.8699996E-02
 C    2.036500      -2.325900     -0.4357000    
 C    3.588600       1.010000      8.4399998E-02
 C  -6.3000001E-02 -3.6200002E-02 -0.1298000    
 C   -1.037000       1.033600      1.2800000E-02
 C   -2.350700      0.7588000     -4.9699999E-02
 C    4.741800      -1.091900     -0.2101000    
 C    4.786500       1.700500      0.2060000    
 C    1.977100      -3.082700      0.8751000    
 C   -2.887000     -0.5906000     -0.2587000    
 C   -5.252300      -1.394900     -0.4157000    
 C    5.954500     -0.4046000     -8.9100003E-02
 C  -0.5617000       2.443700      0.2296000    
 C    5.976500      0.9806000      0.1173000    
 C   -4.486800      0.9637000     -5.3500000E-02
 C   -5.662600      -1.993200      0.9141000    
 H    1.100800      -2.497200     -0.9814000    
 H    2.805700      -2.755400      -1.087900    
 H  -0.3582000      -1.056100     -0.2731000    
 H    4.770900      -2.165700     -0.3610000    
 H    4.808100       2.773500      0.3660000    
 H    2.911000      -2.985000       1.437900    
 H    1.165700      -2.710600       1.509600    
 H    1.802400      -4.147600      0.6920000    
 H   -6.125400     -0.9823000     -0.9297000    
 H   -4.833800      -2.186400      -1.047600    
 H    6.891300     -0.9519000     -0.1540000    
 H  -9.7999997E-02   2.604000       1.208800    
 H   -1.435700       3.108300      0.3137000    
 H  -6.7299999E-02   2.878900     -0.6453000    
 H    6.928500       1.496000      0.2093000    
 H   -4.803000      -2.438400       1.426400    
 H   -6.088500      -1.236000       1.579900    
 H   -6.412600      -2.776000      0.7647000    


%chk=000102361-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000102361

0 1
S 2.298117 1.939314 0.198152
S -6.168430 1.533027 0.006474
O -3.437885 1.569970 0.048913
O -2.276744 -1.805943 -0.359284
N 2.350234 -0.682187 -0.256406
N -4.281106 -0.502447 -0.222953
C 3.707270 -0.320373 -0.119560
C 1.414373 0.352185 -0.081739
C 1.930255 -2.077386 -0.534372
C 3.895078 1.068343 0.116357
C 0.039340 0.165389 -0.112562
C -1.015563 1.133221 0.007775
C -2.327066 0.665294 -0.054115
C 4.833245 -1.173407 -0.197423
C 5.171563 1.631111 0.261446
C 1.627296 -2.881337 0.746842
C -2.858731 -0.683086 -0.226207
C -5.235165 -1.618097 -0.348677
C 6.121667 -0.611395 -0.052657
C -0.773745 2.618131 0.194592
C 6.296944 0.775081 0.172424
C -4.640221 0.831323 -0.057442
C -5.711365 -2.133471 1.023974
H 1.043693 -2.048211 -1.190767
H 2.737144 -2.555906 -1.115712
H -0.310377 -0.866182 -0.239883
H 4.720144 -2.249377 -0.357765
H 5.298652 2.703159 0.440271
H 2.512957 -2.934826 1.404074
H 0.797958 -2.425418 1.312985
H 1.328391 -3.910223 0.478940
H -6.090858 -1.254920 -0.944508
H -4.711083 -2.414900 -0.904599
H 6.997573 -1.265879 -0.111739
H -0.215130 2.813957 1.129418
H -1.725652 3.167451 0.242677
H -0.176380 3.031763 -0.639632
H 7.303195 1.190791 0.283434
H -4.860632 -2.503165 1.621989
H -6.224308 -1.332466 1.583405
H -6.422646 -2.966812 0.882059


