%chk=000081738.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081738

0 1
 S   -4.387700      0.4345000      0.2238000    
 O   -4.507800       1.670800     -0.6120000    
 O   -7.179000     -0.2414000       1.237900    
 C    2.218000     -0.4763000     -0.2399000    
 C   0.9423000      0.2951000      0.1068000    
 C    3.498400      0.2387000      0.2052000    
 C  -0.3367000     -0.4156000     -0.3499000    
 C    4.811400     -0.4741000     -0.1337000    
 C   -1.616900      0.3161000      7.0500001E-02
 C    6.056600      0.3109000      0.2839000    
 C   -2.885800     -0.4360000     -0.3183000    
 C    7.334800     -0.4031000     -0.1578000    
 C   -5.543600     -0.7890000     -0.4367000    
 C    8.576700      0.3554000      0.2828000    
 C   -6.980700     -0.3860000     -0.1627000    
 H    2.181400      -1.467700      0.2277000    
 H    2.257800     -0.6383000      -1.323900    
 H   0.9017000      0.4477000       1.192400    
 H   0.9827000       1.290600     -0.3520000    
 H    3.455200      0.3961000       1.290300    
 H    3.515300       1.236800     -0.2510000    
 H  -0.3221000     -0.5241000      -1.441200    
 H  -0.3507000      -1.429000      7.0100002E-02
 H    4.843900     -0.6540000      -1.215400    
 H    4.820500      -1.458200      0.3507000    
 H   -1.624300       1.315600     -0.3823000    
 H   -1.603400      0.4682000       1.157300    
 H    6.058300      0.4396000       1.372900    
 H    6.025600       1.313100     -0.1603000    
 H   -2.933800     -0.5614000      -1.405100    
 H   -2.889000      -1.427800      0.1458000    
 H    7.345000     -0.5086000      -1.248900    
 H    7.362400      -1.413600      0.2665000    
 H   -5.377200     -0.8996000      -1.512300    
 H   -5.325900      -1.740700      5.9000000E-02
 H    8.613500      0.4485000       1.372900    
 H    9.478600     -0.1719000     -4.3699998E-02
 H    8.595800       1.361000     -0.1492000    
 H   -7.224300      0.5662000     -0.6456000    
 H   -7.666600      -1.153700     -0.5343000    
 H   -8.108600      1.1300000E-02   1.369500    


%chk=000081738-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000081738

0 1
S -4.596543 -0.275379 1.212466
O -4.380170 1.368401 0.833729
O -6.356944 1.366913 -0.994479
C 2.049324 -0.575365 -0.110460
C 0.760804 -0.073310 0.578719
C 3.309515 0.217239 0.304411
C -0.503980 -0.846687 0.140314
C 4.606075 -0.306277 -0.353666
C -1.776884 -0.352654 0.871282
C 5.863836 0.496843 0.048072
C -3.027941 -1.097408 0.402056
C 7.163844 -0.038816 -0.594348
C -5.908962 -0.890002 -0.100625
C 8.414467 0.772321 -0.191539
C -5.879347 0.035521 -1.329972
H 2.198137 -1.649728 0.127374
H 1.925645 -0.514742 -1.212082
H 0.878972 -0.155791 1.679220
H 0.621478 1.005462 0.360474
H 3.419287 0.179629 1.408560
H 3.171366 1.287166 0.042806
H -0.639735 -0.732793 -0.955218
H -0.355703 -1.930343 0.329239
H 4.493415 -0.281363 -1.457971
H 4.750445 -1.372833 -0.080393
H -1.925276 0.728683 0.683762
H -1.645042 -0.477374 1.964678
H 5.970819 0.483780 1.153159
H 5.727036 1.561009 -0.237449
H -3.178335 -1.008576 -0.688191
H -3.063610 -2.156062 0.714776
H 7.055102 -0.029172 -1.698291
H 7.301710 -1.100947 -0.305262
H -5.652101 -1.943161 -0.314762
H -6.875105 -0.818425 0.423400
H 8.562521 0.753716 0.904879
H 9.329625 0.368828 -0.662876
H 8.315496 1.831098 -0.497361
H -4.857352 0.062242 -1.770797
H -6.567049 -0.366205 -2.096695
H -5.687043 1.720661 -0.321140


