%chk=000112511.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112511

0 1
 S   -6.349700     -0.5641000     -4.7100000E-02
 O   0.3615000      -1.359700     -0.5125000    
 O   -6.886000     -0.2088000       1.456000    
 O   -7.015100      0.3517000     -0.9624000    
 O   -6.450800      -2.003200     -0.2341000    
 N  -0.5710000      0.7713000      2.0999999E-03
 N  -8.7899998E-02   2.051000      0.2663000    
 C    4.490500      -1.785000      9.1700003E-02
 C    3.217600      -1.256100     -0.6107000    
 C    5.678100     -0.8380000     -0.2217000    
 C    2.921400      0.1874000     -0.2760000    
 C    5.334700      0.6312000     -0.1157000    
 C    4.814000      -3.195400     -0.4327000    
 C    4.268300      -1.882100       1.616600    
 C    4.064000       1.071600     -0.1282000    
 C    1.665700      0.6343000     -0.1241000    
 C    6.497200       1.572900     -3.0000001E-04
 C    1.213300       1.988300      0.1949000    
 C   0.4376000     -0.1746000     -0.2518000    
 C    2.125900       3.146000      0.4131000    
 C   -1.921500      0.4594000     -9.2000002E-03
 C   -2.353400     -0.8246000      0.3430000    
 C   -2.867100       1.425100     -0.3727000    
 C   -4.648800     -0.1708000     -3.2099999E-02
 C   -3.712400      -1.138700      0.3314000    
 C   -4.226100       1.111000     -0.3839000    
 H    2.419400      -1.944700     -0.3366000    
 H    3.341700      -1.331800      -1.700000    
 H    6.044200      -1.018300      -1.241200    
 H    6.510200      -1.070100      0.4557000    
 H    5.725200      -3.589700      3.1099999E-02
 H    3.998600      -3.895100     -0.2174000    
 H    4.968900      -3.190100      -1.517500    
 H    5.152100      -2.297000       2.114800    
 H    4.065600     -0.9081000       2.073200    
 H    3.421100      -2.537800       1.848200    
 H    3.994900       2.136900     -0.1140000    
 H    7.076400       1.350400      0.9017000    
 H    6.185200       2.621000      5.6499999E-02
 H    7.154800       1.468800     -0.8696000    
 H    2.806300       2.975300       1.250300    
 H    1.507900       4.002100      0.7137000    
 H    2.609000       3.451300     -0.5180000    
 H   -1.667300      -1.596600      0.6768000    
 H   -2.561900       2.429500     -0.6560000    
 H   -4.019600      -2.138200      0.6260000    
 H   -4.937900       1.882000     -0.6649000    
 H   -6.804600      0.7375000       1.721200    


%chk=000112511-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000112511

0 1
S -6.559278 -0.287541 -0.075376
O 0.376846 -1.484341 -0.359407
O -6.750085 -0.494449 1.768539
O -7.346146 1.059383 -0.510172
O -6.910009 -1.702715 -0.779989
N -0.583762 0.688790 -0.089249
N -0.132768 2.033819 0.042073
C 4.642991 -1.822306 0.251389
C 3.311507 -1.335661 -0.389861
C 5.799803 -0.919083 -0.258580
C 3.034312 0.148826 -0.202469
C 5.491637 0.562365 -0.180222
C 4.901110 -3.287293 -0.175898
C 4.548390 -1.753262 1.799024
C 4.193654 1.025909 -0.140453
C 1.722015 0.634791 -0.143964
C 6.668597 1.506626 -0.158851
C 1.205502 2.004594 0.008728
C 0.499409 -0.227980 -0.216024
C 1.923840 3.321738 0.130133
C -1.977931 0.438780 -0.083525
C -2.482561 -0.886195 -0.220554
C -2.870456 1.539464 0.054774
C -4.723190 0.001815 -0.066628
C -3.872576 -1.106465 -0.207160
C -4.258794 1.321480 0.067327
H 2.459604 -1.933150 -0.026125
H 3.351659 -1.527726 -1.485377
H 6.021434 -1.169917 -1.320540
H 6.733304 -1.136877 0.299235
H 5.855395 -3.658909 0.242959
H 4.093681 -3.950449 0.185094
H 4.951043 -3.383573 -1.277160
H 5.477662 -2.133574 2.263484
H 4.384215 -0.721932 2.159447
H 3.709364 -2.374783 2.161641
H 4.036003 2.104234 -0.073203
H 7.278902 1.347667 0.752611
H 6.362322 2.565658 -0.190665
H 7.342154 1.312315 -1.016873
H 2.587245 3.348702 1.014042
H 1.173340 4.121734 0.237864
H 2.534816 3.541345 -0.764872
H -1.786620 -1.719122 -0.332336
H -2.459355 2.545515 0.152481
H -4.283792 -2.114220 -0.319753
H -4.962545 2.153968 0.161729
H -7.721685 -0.660596 1.946610


