%chk=000054864.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054864

0 1
 S   0.9706000      -1.841700      0.9631000    
 O    3.488200      -1.427700     -0.3470000    
 N   -2.463600       2.524200       1.657300    
 C  -0.7187000       1.083700      0.7461000    
 C   -1.703600      0.1318000      7.7799998E-02
 C   0.6687000      0.9376000      0.1267000    
 C   -1.269800       2.518400      0.8774000    
 C   -1.701700      -1.227300      0.4546000    
 C    1.417100     -0.2640000      0.2053000    
 C  -0.7566000      -1.720100       1.513700    
 C   -2.562400      0.5438000     -0.9545000    
 C    1.239600       2.030800     -0.5635000    
 C   -2.570700      -2.129300     -0.1795000    
 C    2.700700     -0.3057000     -0.3864000    
 C   -3.424600     -0.3620000      -1.574600    
 C    2.506900       1.962100      -1.142000    
 C   -3.431600      -1.696700      -1.185300    
 C    3.240700      0.7929000      -1.050600    
 C    4.370700      -1.550600      0.7614000    
 H  -0.5838000      0.7870000       1.794100    
 H   -1.462800       2.981100     -9.5899999E-02
 H  -0.5259000       3.151800       1.377300    
 H  -0.8290000      -1.125600       2.429700    
 H   -1.050400      -2.730500       1.823100    
 H   -2.569200       1.570100      -1.308500    
 H   0.7046000       2.970200     -0.6718000    
 H   -2.577000      -3.179100      0.1034000    
 H   -4.084600     -2.4700001E-02  -2.368600    
 H    2.913900       2.823600      -1.663000    
 H    4.227800      0.7391000      -1.501400    
 H   -4.099100      -2.402200      -1.670700    
 H   -2.792900       3.479500       1.787700    
 H   -2.285200       2.155100       2.590100    
 H    4.691800      -2.593600      0.8315000    
 H    3.892600      -1.267800       1.704800    
 H    5.254600     -0.9258000      0.5994000    


%chk=000054864-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054864

0 1
S 1.057839 -1.593503 1.484781
O 3.478305 -1.492752 -0.270618
N -2.381109 2.605235 1.902302
C -0.704049 1.092297 0.881495
C -1.685152 0.171752 0.139783
C 0.648505 0.960696 0.160904
C -1.178978 2.554230 1.056882
C -1.662234 -1.223768 0.433810
C 1.448901 -0.206561 0.337404
C -0.868280 -1.735638 1.604349
C -2.508490 0.632616 -0.912768
C 1.084721 1.953393 -0.752518
C -2.431571 -2.121834 -0.346888
C 2.675593 -0.331937 -0.379897
C -3.290198 -0.263941 -1.673245
C 2.293505 1.818630 -1.466944
C -3.246449 -1.649541 -1.397912
C 3.094161 0.674562 -1.275919
C 4.380666 -1.529038 0.895888
H -0.557872 0.692704 1.906702
H -1.438528 3.003735 0.080203
H -0.315880 3.142467 1.452493
H -1.143452 -1.228066 2.543451
H -1.008193 -2.821214 1.732163
H -2.547701 1.702020 -1.143554
H 0.469733 2.844673 -0.910352
H -2.394897 -3.194779 -0.123105
H -3.926305 0.115547 -2.480896
H 2.608945 2.599515 -2.167097
H 4.033018 0.527444 -1.819455
H -3.842017 -2.351802 -1.991419
H -2.893322 3.489467 1.883862
H -2.256973 2.239089 2.850007
H 4.932604 -2.477369 0.810440
H 3.813324 -1.514092 1.846481
H 5.087132 -0.675836 0.870387


