%chk=000118435.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118435

0 1
 S   0.2366000       1.557400      0.4383000    
 O  -0.1488000       2.942100      0.6739000    
 O   0.5529000      0.6999000       1.571700    
 O   -8.266800     -0.9212000     -0.5062000    
 O   -7.288200     -0.8847000       1.542600    
 O    6.255600      -1.782400      0.9195000    
 O    5.801900      0.2509000       1.611400    
 N    1.533000       1.535600     -0.6952000    
 N    5.527100     -0.7607000      0.9215000    
 C   -2.362300      0.6847000      0.3121000    
 C   -1.064200      0.7950000     -0.4771000    
 C   -3.478700     -1.0400000E-02 -0.4732000    
 C   -4.787900     -0.1316000      0.3126000    
 C   -5.894800     -0.8546000     -0.4545000    
 C    2.390000      0.3720000     -0.6827000    
 C    1.332200       2.206400      -2.002600    
 C    3.530500      0.3753000      0.1054000    
 C    2.054600     -0.7271000      -1.457900    
 C   -7.191200     -0.8849000      0.3233000    
 C    4.356300     -0.7487000      0.1184000    
 C    2.880600      -1.851000      -1.444800    
 C    4.031400      -1.861900     -0.6567000    
 H   -2.180000      0.1325000       1.242300    
 H   -2.697300       1.686200      0.6085000    
 H   -1.237100       1.388200      -1.379500    
 H  -0.7293000     -0.2051000     -0.7640000    
 H   -3.666300      0.5440000      -1.401000    
 H   -3.142100      -1.012900     -0.7651000    
 H   -5.134900      0.8714000      0.5922000    
 H   -4.594100     -0.6625000       1.253400    
 H   -6.068900     -0.3329000      -1.402800    
 H   -5.604500      -1.887000     -0.6753000    
 H   0.7514000       1.584700      -2.689100    
 H    2.303300       2.424500      -2.459300    
 H   0.8199000       3.163100      -1.864400    
 H    3.758300       1.257100      0.6993000    
 H    1.165500     -0.7363000      -2.080900    
 H    2.627700      -2.717300      -2.049200    
 H    4.650900      -2.755000     -0.6716000    
 H   -9.111600     -0.9444000     -8.1000002E-03


%chk=000118435-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000118435

0 1
S 0.335472 2.756691 -0.886031
O 0.518495 4.248848 -1.516382
O 0.616463 2.483075 0.695804
O -5.910673 -3.241969 1.462951
O -5.629628 -1.330101 2.748782
O 0.836684 -3.474319 1.294579
O -0.799591 -2.061014 0.576881
N 1.517286 1.543420 -2.032403
N 0.441121 -2.420110 0.669184
C -2.187801 1.570933 -0.135384
C -1.454626 2.080062 -1.376056
C -3.090535 0.352996 -0.461329
C -3.810533 -0.169611 0.801063
C -4.527151 -1.506126 0.532324
C 1.988686 0.420897 -1.305296
C 2.489605 2.404217 -2.737209
C 1.036698 -0.416329 -0.659471
C 3.364026 0.039850 -1.258269
C -5.381329 -1.961858 1.698885
C 1.467286 -1.570275 0.010575
C 3.762486 -1.140161 -0.592255
C 2.824908 -1.961523 0.064981
H -1.455002 1.267568 0.638700
H -2.783005 2.385942 0.315163
H -1.893432 2.961856 -1.868978
H -1.201987 1.301054 -2.113377
H -3.836141 0.620619 -1.237472
H -2.462802 -0.459583 -0.880496
H -4.538418 0.577905 1.168773
H -3.072251 -0.315586 1.611727
H -5.188252 -1.436677 -0.355107
H -3.795450 -2.305146 0.306936
H 2.826004 1.866135 -3.642771
H 3.371089 2.696206 -2.131291
H 1.974386 3.327720 -3.051636
H -0.030961 -0.194019 -0.680818
H 4.120945 0.654254 -1.753095
H 4.822301 -1.414379 -0.578715
H 3.112778 -2.870340 0.597998
H -6.466451 -3.512719 2.243734


