%chk=000068090.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068090

0 1
 S    5.582000     -5.4000001E-03  6.1999999E-02
 O    6.167900      -1.250700     -0.4140000    
 O    6.051600       1.265300     -0.4725000    
 O   -3.035000       3.042600     -0.5204000    
 O   -1.343300       2.381600      0.8461000    
 N  -0.8656000     -0.3007000      0.4467000    
 N  -0.2995000     -0.3008000     -0.6698000    
 N   -2.153200      -2.809500      0.3303000    
 N    5.695800      4.1400000E-02   1.766300    
 N   -6.419500     -0.5753000     -0.2450000    
 C    3.851800     -9.2600003E-02 -0.1538000    
 C   -2.256600     -0.3701000      0.2736000    
 C   -3.003700      0.8022000      0.1587000    
 C   -2.891900      -1.610600      0.2165000    
 C    1.093600     -0.2310000     -0.4969000    
 C   -5.021600     -0.5064000     -7.0799999E-02
 C    3.217300      -1.333600     -0.2108000    
 C    3.103600       1.079100     -0.2686000    
 C   -4.386100      0.7340000     -1.3500000E-02
 C   -4.274600      -1.678800      4.4300001E-02
 C    1.834800      -1.403000     -0.3829000    
 C    1.721100       1.009600     -0.4406000    
 C   -2.368600       2.112600      0.2150000    
 H    3.779200      -2.258600     -0.1171000    
 H    3.575900       2.056200     -0.2212000    
 H   -4.988000       1.636700     -9.1399997E-02
 H   -4.771200      -2.645800     -6.0000003E-04
 H    1.348400      -2.373800     -0.4255000    
 H    1.147200       1.927700     -0.5315000    
 H   -2.624700      -3.703000      0.2881000    
 H   -1.150400      -2.771000      0.4558000    
 H    6.062100     -0.7919000       2.242700    
 H    5.980700      0.9275000       2.200900    
 H   -6.962000      0.2740000     -0.3292000    
 H   -6.880700      -1.474400     -0.2872000    
 H   -2.601000       3.921400     -0.4779000    


%chk=000068090-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000068090

0 1
S 5.682813 0.218495 0.727972
O 6.240969 1.717227 0.415445
O 5.997276 -0.585949 2.110005
O -1.529884 -0.493838 -2.636312
O -2.181267 1.738585 -2.534243
N -1.100734 -0.368549 0.654424
N -0.328874 0.346450 -0.140319
N -2.772852 -1.370020 2.523670
N 6.301357 -0.868567 -0.636664
N -6.658518 -0.258008 -0.210982
C 3.824992 0.229467 0.475223
C -2.456477 -0.364752 0.337397
C -3.030813 0.138024 -0.877277
C -3.338097 -0.885355 1.364878
C 1.064587 0.255492 0.125841
C -5.286968 -0.311025 -0.016194
C 3.270560 1.238073 -0.331642
C 3.064494 -0.764741 1.118223
C -4.414817 0.183663 -1.045853
C -4.740405 -0.855568 1.170571
C 1.873961 1.240168 -0.508373
C 1.670321 -0.749219 0.938783
C -2.183418 0.592014 -2.033164
H 3.909777 2.003006 -0.783114
H 3.556472 -1.511648 1.749644
H -4.838536 0.574684 -1.977096
H -5.404609 -1.240891 1.953298
H 1.380863 2.000523 -1.121895
H 1.034550 -1.505984 1.406674
H -3.338276 -1.731310 3.285777
H -1.755833 -1.337361 2.598830
H 6.893697 -0.287304 -1.254324
H 6.823174 -1.645914 -0.196423
H -7.046998 0.143328 -1.060242
H -7.303491 -0.606417 0.493204
H -0.963192 -0.151883 -3.379940


