%chk=000052935.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052935

0 1
 S    2.755800       1.561700      0.1942000    
 O   -3.107700       1.217400     -0.3781000    
 O    1.381300      -1.725200      0.3798000    
 O    3.377300      0.5717000     -0.6717000    
 O    3.124100       2.964100      7.6600000E-02
 O    1.669600      -1.208200      -1.835800    
 N    2.948300       1.075500       1.819900    
 C    1.018900       1.431600      1.5400000E-02
 C   0.4197000      0.2464000     -0.4111000    
 C   -1.754500       1.287500     -0.2495000    
 C  -0.9670000      0.1744000     -0.5436000    
 C   0.2315000       2.544600      0.3098000    
 C    1.516100      -3.130800      0.1402000    
 C   -1.155200       2.472500      0.1773000    
 C    1.209200     -0.9366000     -0.7275000    
 C   -3.715200     -5.5799998E-02 -0.1649000    
 C   -5.127000      0.1548000      0.3604000    
 C    1.730800      -3.846200       1.465400    
 C   0.2771000      -3.636700     -0.5827000    
 C   -5.833200      -1.162600      0.6261000    
 H   -1.403500     -0.7529000     -0.9053000    
 H   0.6723000       3.476800      0.6515000    
 H    2.404200      -3.298000     -0.4819000    
 H   -1.763900       3.342000      0.4098000    
 H   -3.163700     -0.6456000      0.5790000    
 H   -3.744000     -0.6016000      -1.115100    
 H   -5.092600      0.7501000       1.280800    
 H   -5.702800      0.7478000     -0.3603000    
 H    1.860600      -4.923100       1.322000    
 H    2.617800      -3.450800       1.972000    
 H   0.8838000      -3.680300       2.140000    
 H   0.3036000      -4.726600     -0.6849000    
 H   0.1798000      -3.219300      -1.589100    
 H  -0.6328000      -3.363300     -3.6499999E-02
 H   -5.296100      -1.752100       1.376000    
 H   -6.846200     -0.9814000      0.9988000    
 H   -5.909700      -1.758100     -0.2892000    
 H    3.377900      0.1590000       1.996100    
 H    3.206700       1.794900       2.506100    


%chk=000052935-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052935

0 1
S 2.554585 0.980065 0.443517
O -3.502352 1.485566 0.279266
O 1.547076 -1.888401 0.357560
O 3.161124 0.254281 -0.882279
O 2.991290 2.519226 0.745624
O -0.266734 -2.340272 -1.030926
N 2.908748 0.109191 2.001611
C 0.651487 0.938299 0.434824
C -0.132320 -0.179049 0.069665
C -2.134264 1.236599 0.314911
C -1.539835 -0.008096 0.000299
C 0.074886 2.185131 0.743920
C 2.200519 -3.196050 -0.068659
C -1.319660 2.334808 0.694422
C 0.358555 -1.554923 -0.277824
C -4.407530 0.386035 -0.132712
C -5.832390 0.940290 -0.093400
C 3.704812 -2.987950 0.117075
C 1.599918 -4.334560 0.764331
C -6.866104 -0.129939 -0.508185
H -2.131107 -0.872505 -0.312865
H 0.729839 3.023935 1.002371
H 1.947954 -3.325664 -1.136436
H -1.796320 3.289715 0.932461
H -4.290572 -0.466490 0.567870
H -4.135128 0.051270 -1.154579
H -6.046753 1.304639 0.928435
H -5.895032 1.814706 -0.767260
H 4.248565 -3.847002 -0.315772
H 4.028005 -2.066870 -0.397463
H 3.975432 -2.924602 1.187589
H 2.093807 -5.287355 0.499022
H 0.520078 -4.440008 0.568903
H 1.756328 -4.155514 1.843207
H -6.837140 -1.004618 0.168362
H -7.888502 0.285169 -0.475250
H -6.683664 -0.491224 -1.537573
H 2.757334 -0.901857 1.860868
H 3.846367 0.381624 2.335070


