%chk=000065940.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065940

0 1
 S   -3.682200      0.4017000      9.6199997E-02
 S   0.7317000      -2.006900      -1.123000    
 O   -4.435800      0.8803000       1.248100    
 O   -4.319000      0.3818000      -1.214100    
 O    2.936500     -0.7388000     -0.4033000    
 O    5.818200       1.034000      0.8293000    
 O    5.313100      0.2949000      -1.265100    
 N   -3.094800      -1.165900      0.4410000    
 C   -2.796000      -2.094100     -0.6590000    
 C   -1.673100      -3.048800     -0.2613000    
 C  -0.3978000      -2.326200      0.1028000    
 C   -2.211900       1.333100     -4.0100001E-02
 C  -2.2000000E-02  -1.881200       1.329700    
 C   -1.580000       1.461800      -1.276900    
 C   -1.668200       1.947400       1.088000    
 C    1.775200      -1.244700      6.0000003E-04
 C    1.252100      -1.245900       1.275000    
 C  -0.4044000       2.204800      -1.385800    
 C  -0.4927000       2.690500      0.9793000    
 C   0.1392000       2.819000     -0.2576000    
 C    3.781700     -0.1063000      0.5781000    
 C    5.030200      0.4096000     -8.1900001E-02
 H   -3.700600      -2.667400     -0.8875000    
 H   -2.506300      -1.541900      -1.559000    
 H   -1.992500      -3.648200      0.6017000    
 H   -1.492800      -3.759900      -1.077100    
 H   -3.328700      -1.589500       1.347200    
 H  -0.6113000      -1.993400       2.230600    
 H   -1.980600      0.9870000      -2.167900    
 H   -2.139600       1.853600       2.062200    
 H    1.737800     -0.8186000       2.142800    
 H   8.9500003E-02   2.302200      -2.348100    
 H  -6.7500003E-02   3.166300       1.858100    
 H    1.056000       3.395100     -0.3417000    
 H    4.073100     -0.8400000       1.337800    
 H    3.252600      0.7454000       1.020300    
 H    6.641300       1.381600      0.4243000    


%chk=000065940-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000065940

0 1
S -3.333259 0.464618 -0.621936
S 0.402327 -2.109175 -1.097038
O -4.647221 1.191334 0.017480
O -3.203878 0.086710 -2.205184
O 2.738039 -0.815993 -0.627691
O 5.693386 1.080559 -0.068492
O 3.879068 1.656272 -1.409727
N -3.143983 -1.127217 0.365277
C -2.958202 -2.347374 -0.457342
C -1.900491 -3.295042 0.182487
C -0.541151 -2.682618 0.360293
C -1.819607 1.499297 -0.170385
C 0.153663 -2.403708 1.521234
C -0.674440 1.380276 -0.972104
C -1.930195 2.367948 0.926895
C 1.692976 -1.486630 -0.000910
C 1.424147 -1.736406 1.334380
C 0.445573 2.177884 -0.637791
C -0.803299 3.162344 1.241264
C 0.376979 3.061727 0.465573
C 3.682471 -0.156872 0.270835
C 4.379814 0.938656 -0.524397
H -3.908392 -2.902069 -0.595163
H -2.631187 -2.034679 -1.468687
H -2.257045 -3.621188 1.177563
H -1.855581 -4.202603 -0.454571
H -3.996964 -1.127821 0.954249
H -0.242704 -2.655349 2.508344
H -0.660747 0.703438 -1.830971
H -2.865812 2.437918 1.490617
H 2.083429 -1.465354 2.161601
H 1.360955 2.104691 -1.235108
H -0.852144 3.859302 2.084561
H 1.242944 3.686093 0.712765
H 4.420188 -0.875502 0.669848
H 3.144488 0.321448 1.116481
H 6.136258 1.837486 -0.540549


