%chk=000034755.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034755

0 1
 S    1.648800     -0.5573000       1.826300    
 O   -1.128500      -1.674700       1.064700    
 O  -0.9934000      -4.404800     -0.2869000    
 O   -2.448800      -2.921000      -2.037600    
 O    4.647700      0.2211000      -1.991500    
 O    6.465300      0.1486000     -0.6103000    
 N   -2.885000     -0.5023000     -1.7100001E-02
 N   -4.557100      0.9428000     -0.3231000    
 N   -1.062700       1.052600      0.3881000    
 N    4.533300       2.782800     -0.9036000    
 N   -1.830700       3.366900      0.2862000    
 N   -4.109400       3.945900     -0.1601000    
 C   2.0900000E-02  -2.408300      0.5819000    
 C  -0.4351000      -3.148500     -0.6716000    
 C   -1.534500      -2.246700      -1.197400    
 C   -2.188300      -1.781700      9.4899997E-02
 C    1.143700      -1.416900      0.3103000    
 C    3.303400     -0.1047000       1.257300    
 C   -2.340900      0.7441000      0.1220000    
 C   -4.218400     -0.3289000     -0.2843000    
 C    3.258000       1.190000      0.4501000    
 C    2.141200      -2.036700       2.740300    
 C   -3.393300       1.624700     -7.0699997E-02
 C    4.644300       1.587600     -6.4599998E-02
 C   -3.102200       2.982200      2.0000000E-02
 C  -0.9036000       2.392500      0.4512000    
 C    5.325000      0.5508000     -0.9747000    
 H   0.2891000      -3.131400       1.355800    
 H   0.3542000      -3.342900      -1.403400    
 H   -1.104100      -1.404600      -1.751600    
 H   -2.921200      -2.504700      0.4745000    
 H    1.998600      -1.952500     -0.1147000    
 H   0.8383000     -0.6487000     -0.4054000    
 H    3.749600     -0.9281000      0.6924000    
 H    3.921000      5.3900000E-02   2.148600    
 H  -0.2699000      -4.945600      7.3600002E-02
 H   -2.784300      -3.696200      -1.556100    
 H   -4.888800      -1.162800     -0.4418000    
 H    2.849100       2.000100       1.068600    
 H    2.567300       1.069400     -0.3950000    
 H    2.674300      -2.745400       2.101800    
 H    1.259700      -2.508100       3.180100    
 H    2.799200      -1.733500       3.559600    
 H    5.296800       1.814800      0.7866000    
 H   0.1035000       2.736100      0.6621000    
 H    5.451800       3.053300      -1.252500    
 H    3.952900       2.590100      -1.718900    
 H   -3.872900       4.926200     -8.9599997E-02
 H   -5.058900       3.661300     -0.3591000    


%chk=000034755-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000034755

0 1
S 1.992519 0.339506 2.151369
O -0.674129 -1.305977 1.052589
O 0.841970 -2.119768 -2.135112
O -1.149055 -3.447800 -1.265213
O 3.187341 -1.251371 -1.677581
O 3.529083 -2.121690 0.458793
N -2.902319 -0.686743 0.386595
N -4.968498 0.195054 0.885125
N -1.798405 1.386802 -0.483861
N 5.509498 0.237485 -1.597309
N -3.324754 3.318718 -0.450074
N -5.546598 3.181218 0.344111
C 0.510816 -1.181211 0.155074
C -0.001755 -1.282551 -1.322146
C -1.372978 -2.017483 -1.165549
C -1.853349 -1.714861 0.275958
C 1.175660 0.161992 0.401669
C 3.935698 0.396143 1.933567
C -2.841956 0.670289 0.036515
C -4.197351 -0.904316 0.894118
C 4.479987 0.839233 0.564470
C 1.805056 -1.381729 2.919431
C -4.128841 1.189714 0.350435
C 4.994908 -0.332819 -0.341301
C -4.350327 2.572819 0.084629
C -2.134025 2.696776 -0.697489
C 3.832838 -1.352823 -0.536332
H 1.198348 -2.026086 0.342518
H -0.156007 -0.278457 -1.758556
H -2.110672 -1.680201 -1.918228
H -2.264214 -2.641992 0.711805
H 1.985335 0.327156 -0.325449
H 0.430711 0.974339 0.377288
H 4.239883 -0.639381 2.156865
H 4.208537 1.092958 2.743018
H 1.855639 -1.857521 -1.998797
H -0.265267 -3.515161 -1.752775
H -4.512614 -1.885174 1.244808
H 5.338684 1.515614 0.734427
H 3.756524 1.444624 -0.015040
H 2.407984 -2.070635 2.306046
H 0.732101 -1.619987 2.884402
H 2.172357 -1.292202 3.952331
H 5.806158 -0.848504 0.205354
H -1.349884 3.331355 -1.122082
H 6.373750 -0.209560 -1.919799
H 4.777170 0.183879 -2.321101
H -5.655178 4.170628 0.130644
H -6.315377 2.640503 0.735241


