%chk=000083007.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083007

0 1
 S   2.8600000E-02  -3.948900      0.1898000    
 O   -1.465900       2.623500      0.3839000    
 O   -4.769000      -1.512800     -0.3399000    
 O  -8.8900000E-02  -4.455100      -1.358400    
 O    1.444400      -3.828400      0.4953000    
 O  -0.8443000      -4.774100       1.006500    
 N   0.6347000       1.089300      0.5886000    
 N   -2.855800      -3.247800     -0.1759000    
 C   -1.668900      0.2686000      0.2111000    
 C   -2.531400     -0.8132000      2.1600001E-02
 C  -0.2986000      4.5800000E-02  0.3916000    
 C   -2.023400      -2.117800      1.2400000E-02
 C  -0.6571000      -2.335400      0.1924000    
 C   -2.191300       1.650200      0.2224000    
 C   -3.639300       1.871000      3.1599998E-02
 C   -4.501900      0.7892000     -0.1576000    
 C   -3.979500     -0.5925000     -0.1696000    
 C   0.2034000      -1.255900      0.3816000    
 C    6.148000       1.617900     -0.7225000    
 C    1.996600       1.220400      0.2643000    
 C    4.703400       1.479600     -0.3789000    
 C    7.012100      0.5414000     -4.8500001E-02
 C   -4.147300       3.175600      4.1000001E-02
 C   -5.872400       1.011900     -0.3375000    
 C    8.494900      0.7171000     -0.3753000    
 C    2.519100      0.5618000     -0.8516000    
 C    2.834000       2.009100       1.057000    
 C    3.870400      0.6910000      -1.172700    
 C    4.185200       2.138600      0.7359000    
 C   -5.513600       3.393100     -0.1385000    
 C   -6.374300       2.313700     -0.3275000    
 C    9.348200     -0.3268000      0.3274000    
 H    1.261000      -1.430400      0.5539000    
 H   0.2591000       1.881200       1.101800    
 H    6.277300       1.568600      -1.811500    
 H    6.502200       2.615100     -0.4299000    
 H    6.680700     -0.4544000     -0.3693000    
 H    6.871400      0.5842000       1.039200    
 H   -3.499300       4.035800      0.1862000    
 H   -6.566500      0.1893000     -0.4867000    
 H    8.648200      0.6406000      -1.458000    
 H    8.827400       1.716000     -7.0000000E-02
 H    1.890500     -3.8699999E-02  -1.503600    
 H    2.443100       2.526800       1.929400    
 H    4.261400      0.1755000      -2.045900    
 H    4.824400       2.754000       1.363500    
 H   -2.473700      -4.181800     -0.2115000    
 H   -3.850300      -3.133200     -0.3102000    
 H   -5.907100       4.405500     -0.1311000    
 H   -7.437600       2.485900     -0.4672000    
 H    9.061300      -1.338100      2.1800000E-02
 H    9.242700     -0.2531000       1.414400    
 H    10.40420     -0.1834000      7.8199998E-02
 H   0.4102000      -3.918400      -2.018100    


%chk=000083007-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000083007

0 1
S 0.151997 -3.940069 -0.060734
O -1.474078 2.748424 0.227202
O -4.913472 -1.577987 0.021863
O 0.198496 -4.050995 -1.916871
O 1.665423 -3.851157 0.494524
O -0.840713 -5.110070 0.482815
N 0.572349 1.230195 0.038482
N -2.933863 -3.227205 -0.025539
C -1.721668 0.344659 0.057981
C -2.618184 -0.786439 0.039251
C -0.289369 0.148983 0.022408
C -2.108611 -2.141434 -0.007886
C -0.672885 -2.257453 0.000546
C -2.257752 1.713889 0.143793
C -3.722170 1.914285 0.146224
C -4.605638 0.798775 0.104505
C -4.079303 -0.587066 0.055404
C 0.208853 -1.193061 0.012078
C 6.307092 1.551059 -0.797822
C 1.976598 1.250783 -0.181338
C 4.801016 1.474154 -0.611790
C 7.074917 0.560418 0.123590
C -4.250682 3.230698 0.198457
C -6.008157 1.012242 0.114074
C 8.607489 0.647695 -0.053298
C 2.628996 0.421402 -1.134238
C 2.744128 2.210885 0.531693
C 4.019863 0.533186 -1.331521
C 4.131030 2.317549 0.313005
C -5.642520 3.433452 0.205526
C -6.524369 2.320222 0.163371
C 9.370514 -0.338942 0.856590
H 1.284863 -1.384109 0.065136
H 0.055395 2.134744 0.186100
H 6.573572 1.330230 -1.850349
H 6.663870 2.578340 -0.586288
H 6.733837 -0.473305 -0.087026
H 6.809453 0.765710 1.180423
H -3.547409 4.067921 0.232623
H -6.662684 0.136237 0.082860
H 8.864975 0.450075 -1.114200
H 8.940608 1.684266 0.159348
H 2.049387 -0.270194 -1.754085
H 2.245491 2.860657 1.259707
H 4.504670 -0.110323 -2.075714
H 4.706164 3.064994 0.872745
H -2.545508 -4.173759 0.055193
H -3.948677 -3.010407 -0.018463
H -6.047737 4.450198 0.243885
H -7.607677 2.481139 0.170186
H 9.079058 -1.384025 0.640718
H 9.152395 -0.144661 1.923536
H 10.463764 -0.256819 0.714682
H 0.567561 -4.950881 -2.157960


