%chk=000030339.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030339

0 1
 S    2.645900      0.4241000      0.4494000    
 O    3.049200       1.798600      0.2240000    
 O    3.005900     -0.2584000       1.677400    
 O   -3.959800       1.250600     -0.3625000    
 N   -3.914900      -1.039500      6.3000000E-03
 N   -5.283700      -1.165200     -0.1332000    
 C    3.235200     -0.5623000     -0.9012000    
 C   0.8890000      0.3616000      0.2802000    
 C    2.669700      -1.972000     -0.8103000    
 C    4.756500     -0.5739000     -0.9209000    
 C   0.2484000       1.319700     -0.4877000    
 C   0.1824000     -0.6435000      0.9190000    
 C   -1.866100      0.2657000      1.6400000E-02
 C   -1.139400       1.271400     -0.6204000    
 C   -1.205500     -0.6918000      0.7862000    
 C   -3.312800      0.2148000     -0.1228000    
 H    2.879400     -8.4899999E-02  -1.821600    
 H    3.121800      -2.612100      -1.576500    
 H    2.865400      -2.436200      0.1619000    
 H    1.592000      -1.993300     -0.9915000    
 H    5.130400      -1.146500      -1.776200    
 H    5.166000      -1.022000     -8.9999996E-03
 H    5.158000      0.4420000     -0.9988000    
 H   0.7971000       2.105000     -0.9985000    
 H   0.6771000      -1.395000       1.526600    
 H   -1.634500       2.023000      -1.229800    
 H   -1.735600      -1.474200       1.321300    
 H   -3.389100      -1.896200      0.1439000    
 H   -5.443800      -1.822400     -0.8955000    
 H   -5.625200      -1.624100      0.7104000    


%chk=000030339-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000030339

0 1
S 2.661398 0.303791 0.517994
O 3.089049 1.876701 0.337923
O 3.015104 -0.547498 1.875995
O -4.120539 1.125724 -0.567169
N -4.152518 -1.097329 0.098963
N -5.559113 -1.234401 -0.049762
C 3.444076 -0.689429 -1.035878
C 0.777545 0.205093 0.291247
C 3.162369 -2.171154 -0.809466
C 4.914641 -0.278517 -1.075910
C 0.147262 1.169373 -0.513517
C 0.082281 -0.785067 1.002862
C -1.993780 0.090572 0.022871
C -1.255414 1.101989 -0.644773
C -1.321921 -0.838269 0.861766
C -3.490997 0.098424 -0.167072
H 2.863252 -0.252363 -1.867686
H 3.653479 -2.758703 -1.607956
H 3.574587 -2.497072 0.162233
H 2.082972 -2.402782 -0.833305
H 5.376649 -0.676733 -1.998802
H 5.464606 -0.686166 -0.209617
H 5.021154 0.820050 -1.077708
H 0.732929 1.963542 -0.988426
H 0.626797 -1.459228 1.672836
H -1.806150 1.833394 -1.244544
H -1.882128 -1.576947 1.445776
H -3.650718 -1.968238 0.273534
H -5.849527 -0.910922 -0.984560
H -6.048343 -0.694837 0.678749


