%chk=000148942.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148942

0 1
 S   -5.714300      4.1299999E-02  0.9618000    
 O   0.2161000       2.299500      -1.035600    
 O   -6.960400     -0.5009000       1.470200    
 O   -4.845300      0.8214000       1.820500    
 N   0.5156000     -0.2820000      -1.249400    
 N    4.021000      0.1057000       1.014800    
 N   -4.841400      -1.228800      0.1931000    
 C    1.700800     -0.1293000     -0.4803000    
 C    2.109200       1.129300     -2.7600000E-02
 C    2.453600      -1.270400     -0.1848000    
 C    3.292200       1.201500      0.7273000    
 C    3.623100      -1.104300      0.5762000    
 C    1.372300       2.292700     -0.3098000    
 C  -0.8180000     -0.5181000     -0.8902000    
 C    2.066900      -2.547500     -0.6271000    
 C    3.704200       2.451800       1.180900    
 C    4.376900      -2.236500      0.8737000    
 C    1.805700       3.530700      0.1554000    
 C    2.974100       3.609900      0.9024000    
 C   -1.806500     -0.6265000      -1.875100    
 C   -1.174900     -0.6475000      0.4568000    
 C    2.838100      -3.663400     -0.3162000    
 C   -3.482500     -0.9881000     -0.1729000    
 C    3.995400      -3.507200      0.4358000    
 C   -3.134400     -0.8606000      -1.517600    
 C   -2.502800     -0.8818000      0.8142000    
 C   0.3401000       2.468900      -2.445100    
 C   -6.125000       1.040500     -0.4515000    
 H   0.6998000     -0.3239000      -2.247600    
 H    1.171700      -2.708600      -1.221800    
 H    4.616400       2.540100       1.768300    
 H    5.288100      -2.140200       1.461400    
 H    1.241100       4.434100     -5.7200000E-02
 H    3.321200       4.570800       1.270600    
 H   -1.550500     -0.5285000      -2.927300    
 H  -0.4327000     -0.5712000       1.247100    
 H    2.538100      -4.648400     -0.6600000    
 H    4.604700      -4.371500      0.6836000    
 H   -3.889600     -0.9404000      -2.295200    
 H   -2.756200     -0.9918000       1.865400    
 H   -5.373600      -1.762200     -0.5076000    
 H    1.179300       1.899500      -2.858100    
 H   0.4781000       3.530500      -2.673000    
 H  -0.5858000       2.133200      -2.919500    
 H   -6.678600      0.4320000      -1.169000    
 H   -6.751900       1.866300     -0.1074000    
 H   -5.209000       1.435800     -0.8933000    


%chk=000148942-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000148942

0 1
S -5.589729 1.154100 0.691041
O -0.530965 1.660044 -1.037434
O -7.141790 1.296496 0.208115
O -5.131913 1.582397 2.188631
N 0.377834 -1.102318 -1.165853
N 3.841677 0.316953 0.948111
N -5.057189 -0.818979 0.429666
C 1.504204 -0.572865 -0.499867
C 1.547891 0.756287 0.046939
C 2.670475 -1.409580 -0.397389
C 2.727245 1.106953 0.850286
C 3.839437 -0.886171 0.294669
C 0.552933 1.799156 -0.129689
C -0.971463 -1.055171 -0.750672
C 2.731908 -2.749990 -0.916816
C 2.754334 2.348765 1.577957
C 5.036719 -1.681880 0.352755
C 0.616664 2.991148 0.587833
C 1.705780 3.254894 1.479483
C -1.987498 -1.370430 -1.695921
C -1.337685 -0.754024 0.592257
C 3.905666 -3.498276 -0.837221
C -3.716539 -0.949595 0.000784
C 5.076922 -2.952660 -0.212184
C -3.341108 -1.294128 -1.332519
C -2.686458 -0.707868 0.961153
C -0.149463 1.792021 -2.455990
C -4.481162 2.174086 -0.524197
H 0.579085 -1.744519 -1.935137
H 1.843311 -3.216554 -1.357579
H 3.637756 2.538764 2.193612
H 5.897593 -1.245482 0.868066
H -0.171406 3.733456 0.426712
H 1.725459 4.193363 2.042965
H -1.711779 -1.632765 -2.725055
H -0.561692 -0.562889 1.338920
H 3.931626 -4.517290 -1.237982
H 5.992417 -3.551749 -0.162024
H -4.118252 -1.499345 -2.080058
H -2.980551 -0.485443 1.991650
H -5.751993 -1.091143 -0.296342
H 0.621950 1.049895 -2.735817
H 0.226892 2.813018 -2.659879
H -1.071298 1.607309 -3.028673
H -4.785750 1.889554 -1.540481
H -4.727298 3.219603 -0.291097
H -3.432396 1.928753 -0.306426


