%chk=000123854.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000123854

0 1
 S    8.646900       1.161400      -1.275800    
 S   -8.660900      0.9307000       1.437500    
 O    5.283600     -0.4579000       1.601000    
 O   -5.277800     -0.1803000      -1.649600    
 O    10.23080      0.8759000      -1.542500    
 O   -10.24160      0.5892000       1.652600    
 O    6.777400       1.957900       1.187900    
 O   -6.799300       2.124100     -0.8667000    
 O    7.074100      -2.641000       1.076100    
 O   -7.043600      -2.438500      -1.477200    
 O    7.866000      0.2892000      -2.135100    
 O    8.429300       2.597100      -1.255200    
 O   -7.870500     -5.6600001E-02   2.151600    
 O   -8.459800       2.354200       1.642500    
 O    4.726500     -0.4234000     -0.6400000    
 O   -4.722000     -0.4911000      0.5701000    
 N    6.624500     -0.3615000       1.169000    
 N   -6.620000     -0.1677000      -1.210900    
 C    8.575900      0.5466000      0.3754000    
 C   -8.582000      0.5830000     -0.2894000    
 C    8.712600     -0.9780000      0.4327000    
 C   -8.701300     -0.9154000     -0.5851000    
 C   0.5202000     -0.5817000      0.5228000    
 C  -0.5150000     -0.4998000     -0.6015000    
 C    7.226000      0.8421000      0.9748000    
 C   -7.235400      0.9837000     -0.8320000    
 C    1.947300     -0.5483000     -3.3599999E-02
 C   -1.941200     -0.4884000     -4.2500000E-02
 C    7.376400      -1.467000      0.9272000    
 C   -7.359300      -1.305800      -1.146900    
 C    3.004800     -0.5956000       1.069100    
 C   -2.998000     -0.3740000      -1.141100    
 C    4.419700     -0.4924000      0.5427000    
 C   -4.414100     -0.3704000     -0.6079000    
 H    9.352100       1.046500      0.9630000    
 H   -9.363500       1.160000     -0.7932000    
 H    8.952700      -1.451300     -0.5226000    
 H    9.471200      -1.263500       1.169500    
 H   -8.936500      -1.535100      0.2838000    
 H   -9.456200      -1.090400      -1.359200    
 H   0.3710000      -1.503900       1.097000    
 H   0.3790000      0.2576000       1.214400    
 H  -0.3924000      -1.352400      -1.280100    
 H  -0.3476000      0.4102000      -1.190300    
 H    2.084900      0.3630000     -0.6292000    
 H    2.096000      -1.392800     -0.7182000    
 H   -2.114100      -1.404200      0.5368000    
 H   -2.055100      0.3487000      0.6578000    
 H    2.916100      -1.537100       1.622700    
 H    2.842700      0.2386000       1.761500    
 H   -2.842400      0.5579000      -1.696700    
 H   -2.901000      -1.218400      -1.832900    
 H    10.47240     -6.4900003E-02  -1.711700    
 H   -10.47250     -0.3691000       1.671900    


%chk=000123854-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000123854

0 1
S 9.048762 0.832766 -1.528057
S -9.103177 0.668067 1.567575
O 5.385108 -0.437105 1.604154
O -5.375182 -0.183406 -1.643394
O 10.602850 1.775015 -1.135452
O -10.701585 1.557359 1.233434
O 6.829503 1.969741 0.852686
O -6.929603 2.083327 -0.699388
O 7.198325 -2.707028 1.390262
O -7.076690 -2.546516 -1.616246
O 9.440384 -0.552595 -2.267650
O 7.968426 1.816041 -2.203884
O -9.425749 -0.787463 2.198326
O -8.076747 1.650795 2.323609
O 4.872749 -0.782841 -0.684543
O -4.842421 -0.675827 0.613758
N 6.737825 -0.387201 1.184293
N -6.727264 -0.231295 -1.223050
C 8.777284 0.453536 0.440991
C -8.804456 0.448786 -0.422529
C 8.940398 -1.048232 0.674367
C -8.892637 -1.037779 -0.765889
C 0.556267 -0.662442 0.509734
C -0.532838 -0.448433 -0.565449
C 7.352547 0.841615 0.825520
C -7.399626 0.933696 -0.767413
C 1.984307 -0.534568 -0.063092
C -1.960914 -0.569898 0.008957
C 7.560006 -1.549319 1.120973
C -7.492113 -1.433291 -1.253553
C 3.060062 -0.730848 1.027462
C -3.035966 -0.343975 -1.074441
C 4.459401 -0.668779 0.469249
C -4.436503 -0.439082 -0.523725
H 9.541017 1.130903 0.848017
H -9.599429 1.115906 -0.784309
H 9.245521 -1.590052 -0.243023
H 9.692369 -1.267170 1.451126
H -9.161431 -1.658350 0.112346
H -9.639457 -1.239398 -1.552050
H 0.427222 -1.665042 0.967682
H 0.413936 0.076054 1.325495
H -0.393379 -1.188771 -1.380159
H -0.400409 0.552908 -1.024987
H 2.112804 0.461141 -0.529614
H 2.138283 -1.278669 -0.867136
H -2.100665 -1.569227 0.463433
H -2.102026 0.165090 0.824095
H 2.942857 -1.720404 1.514855
H 2.966072 0.019166 1.834084
H -2.923172 0.650247 -1.549423
H -2.939850 -1.081561 -1.895257
H 10.968007 2.159552 -1.983388
H -11.092005 1.854555 2.104918


