%chk=000078883.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078883

0 1
 S    2.075900       2.745500      2.1100000E-02
 O   0.6488000       2.749700     -0.2971000    
 O    2.489800       3.736200       1.013500    
 O    2.965200       2.618700      -1.132600    
 O   -2.820400      0.1638000       1.674900    
 N    1.688500      -2.447100     -0.2703000    
 N   -2.484200      -1.099200     -0.2269000    
 C    2.102700      -1.316900      0.6609000    
 C   0.2060000      -2.322900     -0.5912000    
 C    1.950500      -3.784300      0.4075000    
 C    2.494900      -2.364600      -1.558500    
 C    1.909400      3.3399999E-02 -1.5699999E-02
 C  -0.5890000      -2.368000      0.7073000    
 C    2.294800       1.211800      0.8682000    
 C   -2.093100      -2.297000      0.4647000    
 C   -2.825400      6.5300003E-02  0.4486000    
 C   -3.210200       1.219500     -0.4326000    
 C   -3.850400       1.002200      -1.769800    
 C   -2.953900       2.453900      2.8100001E-02
 H    1.591300      -1.399800       1.623000    
 H    3.170000      -1.466000      0.8724000    
 H  -5.5300001E-02  -3.176900      -1.229100    
 H   2.9899999E-02  -1.420100      -1.181500    
 H    1.596400      -3.758900       1.440900    
 H    1.460000      -4.576700     -0.1655000    
 H    3.033100      -3.949500      0.4159000    
 H    2.342400      -3.298700      -2.109300    
 H    2.135800      -1.536100      -2.174200    
 H    3.553900      -2.250400      -1.309000    
 H    2.509500      9.7599998E-02 -0.9278000    
 H   0.8668000      0.1806000     -0.3076000    
 H  -0.4109000      -3.288800       1.269100    
 H  -0.3523000      -1.524600       1.361000    
 H    3.345800       1.146300       1.168500    
 H    1.676300       1.239500       1.771400    
 H   -2.626400      -2.355700       1.420000    
 H   -2.418000      -3.144700     -0.1484000    
 H   -2.489500      -1.121800      -1.241700    
 H   -3.122200      0.6138000      -2.488700    
 H   -4.676000      0.2878000      -1.685700    
 H   -4.262500       1.929600      -2.182300    
 H   -3.203900       3.332800     -0.5578000    
 H   -2.483700       2.627700      0.9906000    


%chk=000078883-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000078883

0 1
S 1.202237 1.206270 -2.042338
O -0.210385 0.491395 -1.480184
O 1.013770 2.671427 -2.715726
O 2.122485 0.101516 -2.865630
O -3.260885 -0.937835 1.823548
N 1.667613 -2.297367 -0.184871
N -2.374314 -0.674339 -0.308146
C 1.730633 -0.904899 0.566549
C 0.258102 -2.449810 -0.838855
C 1.908767 -3.412476 0.821685
C 2.694521 -2.436878 -1.308713
C 2.783273 0.137207 0.093362
C -0.901342 -2.666107 0.152396
C 2.175501 1.468224 -0.370539
C -2.236504 -2.127534 -0.450036
C -2.895327 -0.161803 0.873309
C -3.021984 1.345747 0.951558
C -2.831824 2.184568 -0.298210
C -3.336975 1.877714 2.164562
H 0.722700 -0.474198 0.449403
H 1.891669 -1.158131 1.626704
H 0.341214 -3.301508 -1.537727
H 0.114747 -1.511613 -1.410989
H 1.168962 -3.348875 1.631990
H 1.813000 -4.383242 0.309774
H 2.925216 -3.306076 1.233074
H 2.552808 -3.429270 -1.766511
H 2.519598 -1.631086 -2.052563
H 3.710510 -2.371853 -0.888127
H 3.475830 0.347414 0.930824
H 3.405891 -0.236155 -0.736076
H -1.014662 -3.738261 0.401810
H -0.753196 -2.125587 1.105397
H 2.952005 2.206015 -0.627319
H 1.424123 1.902412 0.307200
H -3.075189 -2.593669 0.093248
H -2.315056 -2.394143 -1.520386
H -1.823588 -0.069230 -0.944406
H -1.826281 2.054628 -0.742123
H -3.562769 1.900714 -1.079331
H -2.972526 3.255164 -0.072826
H -3.466921 2.957200 2.300436
H -3.485049 1.221330 3.029105


