%chk=000039704.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039704

0 1
 S    3.914300     -0.2777000       1.226800    
 O  -0.9724000      -1.179300      0.2469000    
 O    1.221000      0.6213000      0.6232000    
 O    1.518300      0.6947000      -1.672000    
 N    3.291100     -2.6000000E-03 -0.3447000    
 C   -2.278100      -1.678400     -0.1638000    
 C   -3.311800     -0.5352000     -3.4000002E-02
 C   -2.400300      0.6251000      8.3400004E-02
 C   -1.099900      0.1845000      0.2618000    
 C   -2.154900      -2.166400      -1.612900    
 C   -2.632600      -2.850900      0.7521000    
 C   -2.697500       1.976100      8.1900001E-02
 C  -4.9199998E-02   1.063000      0.4451000    
 C   -1.649800       2.883700      0.2566000    
 C  -0.3334000       2.429600      0.4380000    
 C    1.986200      0.4534000     -0.5593000    
 C    4.210900     -0.2298000      -1.449800    
 C    3.438000      -2.011100       1.420700    
 H   -3.914700     -0.6242000      0.8763000    
 H   -3.974900     -0.4646000     -0.9014000    
 H   -1.375300      -2.931700      -1.700000    
 H   -3.098200      -2.587200      -1.976000    
 H   -1.860500      -1.349000      -2.280900    
 H   -3.608400      -3.278000      0.4992000    
 H   -1.876900      -3.641800      0.6838000    
 H   -2.651700      -2.533600       1.800900    
 H   -3.715600       2.327200     -4.6300001E-02
 H   -1.854800       3.950800      0.2578000    
 H   0.4649000       3.154500      0.5761000    
 H    5.067400      0.4445000      -1.350800    
 H    3.725600     -3.7599999E-02  -2.410600    
 H    4.553000      -1.269200      -1.434200    
 H    3.751900      -2.364900       2.406100    
 H    3.920200      -2.628000      0.6579000    
 H    2.353100      -2.120300       1.339100    


%chk=000039704-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000039704

0 1
S 3.871901 -0.339038 1.186482
O -0.713654 -1.063725 0.136558
O 1.400252 0.935995 0.433351
O 1.485540 0.550094 -1.898818
N 3.230355 -0.131957 -0.485165
C -2.047712 -1.719917 -0.266366
C -3.133315 -0.648505 0.098088
C -2.336428 0.644122 0.205976
C -0.964826 0.308893 0.230133
C -1.958705 -1.959566 -1.783227
C -2.145626 -3.015830 0.542103
C -2.734909 1.987015 0.323959
C 0.027172 1.298551 0.350521
C -1.739021 2.989366 0.462142
C -0.365959 2.646343 0.473393
C 2.003199 0.448650 -0.761295
C 4.037866 -0.680772 -1.591795
C 2.783818 -1.773867 1.758032
H -3.621879 -0.893556 1.061174
H -3.919079 -0.605488 -0.676721
H -1.087854 -2.593767 -2.020867
H -2.873302 -2.463080 -2.148068
H -1.842313 -1.002951 -2.321922
H -3.089111 -3.542111 0.308043
H -1.304845 -3.688859 0.299823
H -2.122000 -2.803663 1.624957
H -3.795743 2.260212 0.312089
H -2.030857 4.040438 0.554033
H 0.409807 3.412246 0.569627
H 5.045072 -0.229878 -1.590304
H 3.530074 -0.441438 -2.539367
H 4.135583 -1.777755 -1.497800
H 3.064291 -1.964291 2.807714
H 2.977653 -2.667760 1.146650
H 1.729553 -1.467253 1.693867


