%chk=000087271.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087271

0 1
 S    3.445900      -1.189900       1.483900    
 O   -1.621600      -2.615700      0.1642000    
 O   -1.907400       2.719700      0.1739000    
 O   -4.078200      -2.835300     -0.4701000    
 O   -4.378300       2.672200     -0.4607000    
 N   0.8543000      -2.623400      0.7969000    
 N   0.5826000       2.991600      0.8185000    
 C  -0.4803000     -0.5776000      0.4886000    
 C  -0.5563000      0.8168000      0.4906000    
 C   -2.942700     -0.7112000     -0.1445000    
 C   -3.018800      0.6833000     -0.1428000    
 C   -1.670700      -1.392600      0.1712000    
 C   -1.828300       1.498100      0.1747000    
 C   0.7316000      -1.211100      0.7889000    
 C   0.5792000       1.577600      0.7937000    
 C    1.860800     -0.4491000       1.090200    
 C    1.784700      0.9423000       1.092700    
 C   -4.078300      -1.472000     -0.4474000    
 C   -4.230300       1.316800     -0.4439000    
 C   -5.283700     -0.8366000     -0.7472000    
 C   -5.359500      0.5548000     -0.7453000    
 C    4.468200     -0.5085000      0.1894000    
 C    4.159400     -0.7615000      -1.145900    
 C    5.573000      0.2758000      0.5164000    
 C    4.958300     -0.2289000      -2.157700    
 C    6.371800      0.8085000     -0.4956000    
 C    6.064400      0.5561000      -1.832500    
 H    2.658200       1.544800       1.336100    
 H   -6.175200      -1.411300     -0.9851000    
 H   -6.303600       1.039500     -0.9801000    
 H    1.749300      -3.041600       1.015900    
 H   6.8200000E-02  -3.220100      0.5858000    
 H    1.434300       3.490100       1.041200    
 H  -0.2550000       3.515300      0.6088000    
 H   -4.965200      -3.159200     -0.7027000    
 H   -3.544600       3.112800     -0.2398000    
 H    3.306200      -1.375700      -1.423300    
 H    5.827300      0.4837000       1.552700    
 H    4.720100     -0.4264000      -3.198800    
 H    7.233000       1.420000     -0.2426000    
 H    6.686600      0.9707000      -2.620200    


%chk=000087271-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000087271

0 1
S 3.458819 -1.083798 1.484217
O -1.613562 -2.732962 0.254275
O -2.096304 2.789131 0.059046
O -4.172958 -2.963535 -0.335160
O -4.500804 2.642954 -0.485327
N 0.873130 -2.543859 0.813943
N 0.400256 3.070092 0.617528
C -0.557448 -0.574151 0.473315
C -0.674966 0.863873 0.419268
C -3.029562 -0.806968 -0.099371
C -3.127424 0.629660 -0.141806
C -1.725218 -1.443502 0.212050
C -1.957648 1.467697 0.114182
C 0.714325 -1.182780 0.772787
C 0.474377 1.697089 0.664601
C 1.844578 -0.312960 1.026658
C 1.722770 1.069143 0.982349
C -4.207921 -1.566225 -0.360397
C -4.377985 1.276497 -0.437558
C -5.436774 -0.905735 -0.650545
C -5.529220 0.488701 -0.690152
C 4.590687 -0.418891 0.176408
C 4.171838 -0.245087 -1.162434
C 5.926190 -0.150588 0.556762
C 5.100096 0.213745 -2.123867
C 6.851024 0.291557 -0.417666
C 6.441148 0.479085 -1.757612
H 2.597290 1.694852 1.191632
H -6.333170 -1.509260 -0.847587
H -6.471338 0.996411 -0.912402
H 1.799676 -2.936026 0.985639
H 0.015132 -3.097809 0.623787
H 1.224916 3.639659 0.793960
H -0.529553 3.469570 0.400377
H -5.077150 -3.321777 -0.534349
H -3.543227 3.019472 -0.272558
H 3.138272 -0.460626 -1.451803
H 6.238361 -0.277705 1.598851
H 4.775031 0.351986 -3.160903
H 7.885996 0.497430 -0.123392
H 7.157719 0.828444 -2.508644


