%chk=000089410.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089410

0 1
 S    5.207800     -0.9044000     -0.1261000    
 S   -8.867700      -2.603600     -0.6474000    
 S    9.695700      -1.621800     -0.7571000    
 O    5.503500     -0.6672000      -1.531100    
 O    5.140300      -2.266100      0.3814000    
 O    8.253500      -1.357200     -3.5000000E-02
 O    1.262300       2.057300      -1.373100    
 O   -3.153900     -0.2119000       2.338300    
 O   -2.011600       4.496300      0.1548000    
 O   -1.624100       3.416500      -1.838100    
 O   -8.343400      -3.824000      -1.600800    
 O    9.763200      -3.246000     -0.8933000    
 O   -9.794700      -1.792500      -1.421100    
 O   -9.278200      -3.198700      0.6161000    
 O    10.75590      -1.205000      0.1417000    
 O    9.619700      -1.073500      -2.098500    
 N   -4.087200      0.7379000      0.3730000    
 N   -3.778600       1.766100     -0.4960000    
 N  -0.8831000       1.070800      0.8924000    
 N   8.4299996E-02   1.820100       1.163200    
 C    3.700900     -0.1095000      0.2737000    
 C    6.430100     -2.5699999E-02  0.8193000    
 C    3.129700     -0.2388000       1.539700    
 C    3.069200      0.6632000     -0.7008000    
 C   -2.158900       1.694300       1.194600    
 C    1.927000      0.4047000       1.831300    
 C    7.780000     -2.6500000E-02  0.1289000    
 C    1.295400       1.177200      0.8567000    
 C    1.866400       1.306500     -0.4092000    
 C   -3.167900      0.6043000       1.432000    
 C    3.779300      -1.059800       2.605200    
 C   -2.697300       2.307800     -4.4300001E-02
 C   -5.205700     -4.4100001E-02  0.1342000    
 C   -5.517600      -1.096500      0.9949000    
 C   -6.019800      0.2211000     -0.9670000    
 C   -7.457800      -1.618500     -0.3467000    
 C   -6.643600      -1.883700      0.7544000    
 C   -7.145900     -0.5661000      -1.207400    
 C   -2.044300       3.460300     -0.6961000    
 C    1.617600       3.436700      -1.436800    
 H    6.088200       1.004900      0.9502000    
 H    6.519500     -0.5125000       1.791900    
 H    3.494900      0.7800000      -1.693600    
 H   -2.149300       2.397700       2.032600    
 H    1.474700      0.3096000       2.815900    
 H    8.499900      0.5294000      0.7397000    
 H    7.720700      0.4621000     -0.8496000    
 H    3.809000      -2.119700       2.342400    
 H    4.768200     -0.6874000       2.868700    
 H    3.198500      -1.009700       3.535200    
 H   -4.937700      -1.365800       1.866300    
 H   -5.810200       1.030300      -1.661300    
 H   -6.864500      -2.702700       1.433400    
 H   -7.760900     -0.3457000      -2.075500    
 H    1.130200       3.878000      -2.310300    
 H    2.700400       3.553200      -1.548400    
 H    1.274800       3.962000     -0.5400000    
 H   -1.584100       5.286500     -0.2390000    
 H   -9.032200      -4.480000      -1.860500    
 H    10.58110      -3.600100      -1.315000    


%chk=000089410-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000089410

0 1
S 5.744716 0.151505 -0.734619
S -8.813100 -2.651898 1.975934
S 9.905063 -1.308879 1.387339
O 6.563990 1.404261 -0.060631
O 6.097608 -0.378813 -2.236378
O 8.270911 -1.549017 0.565359
O 2.029248 3.615774 0.600353
O -2.803176 1.080299 1.688659
O -1.866653 3.178029 -3.157479
O -3.673776 2.115122 -4.192927
O -8.038897 -4.298493 1.592931
O 9.998549 -2.896176 2.306250
O -10.123431 -2.471619 1.044144
O -8.913248 -2.491109 3.582602
O 9.789601 -0.199002 2.532426
O 10.987365 -1.305035 0.210879
N -4.261789 0.723963 -0.184314
N -4.301962 1.090954 -1.545034
N -0.978673 1.361127 -0.799763
N -0.035018 2.130844 -0.347684
C 3.890318 0.644396 -0.629363
C 5.903773 -1.350956 0.538072
C 2.878279 -0.190126 -1.165860
C 3.680485 1.895325 -0.042345
C -2.320799 2.005550 -0.607475
C 1.569653 0.324995 -1.056994
C 7.122806 -1.135281 1.412247
C 1.283366 1.584658 -0.465904
C 2.353788 2.392571 0.046345
C -3.105118 1.236580 0.488270
C 3.143515 -1.538594 -1.809664
C -3.222816 1.814444 -1.805859
C -5.325325 -0.073614 0.337148
C -5.325216 -0.460139 1.704313
C -6.377682 -0.463305 -0.534064
C -7.402462 -1.625437 1.312211
C -6.380471 -1.252496 2.197561
C -7.431461 -1.254252 -0.041927
C -2.994899 2.344330 -3.170782
C 3.127682 4.452820 1.114725
H 4.969634 -1.319435 1.122076
H 5.961983 -2.238232 -0.109422
H 4.549804 2.458527 0.313203
H -2.197807 3.066311 -0.314161
H 0.722189 -0.252636 -1.440782
H 7.060841 -1.775812 2.313707
H 7.224598 -0.071258 1.701377
H 3.969591 -1.479566 -2.538943
H 3.420270 -2.302073 -1.056257
H 2.239592 -1.903813 -2.322990
H -4.514906 -0.149393 2.365768
H -6.356333 -0.148903 -1.579256
H -6.411697 -1.556841 3.248094
H -8.259169 -1.560260 -0.688668
H 2.632978 5.357562 1.493559
H 3.835852 4.718121 0.308178
H 3.663084 3.943389 1.937320
H -1.700094 3.529820 -4.073194
H -8.682601 -5.009383 1.882047
H 10.349146 -3.589329 1.672640


