%chk=000015437.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000015437

0 1
 S    3.017500     -0.7655000      0.6675000    
 O    4.302000     -0.6983000     -8.3600000E-02
 O   -1.589100      0.1367000      0.6631000    
 O   -2.691100      1.9500000E-02  -1.356100    
 N  -0.4635000      0.2992000     -0.1555000    
 N   -3.812900     -0.1612000      0.6648000    
 C    1.975000      0.6161000      2.7400000E-02
 C    2.528500       1.951100      0.5302000    
 C    1.996900      0.5716000      -1.502100    
 C   0.5795000      0.4282000      0.5976000    
 C    2.003000      -2.065900     -6.8200000E-02
 C   -2.696200     -1.9999999E-04 -0.1290000    
 C   -5.149700     -0.3312000      0.1437000    
 H    2.556900       1.986800       1.625900    
 H    3.548000       2.126000      0.1680000    
 H    1.903400       2.787300      0.1962000    
 H    3.014100      0.5370000      -1.907000    
 H    1.528900       1.477900      -1.908100    
 H    1.430500     -0.2591000      -1.931800    
 H   0.4903000      0.4141000       1.700700    
 H   0.9685000      -2.032700      0.2740000    
 H    2.422000      -3.018800      0.2713000    
 H    2.063500      -2.067000      -1.156700    
 H   -3.689000     -0.1588000       1.672600    
 H   -5.542100      -1.281100      0.5147000    
 H   -5.154800     -0.3287000     -0.9487000    
 H   -5.768600      0.4871000      0.5197000    


%chk=000015437-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000015437

0 1
S 2.646935 -1.015038 0.643984
O 4.139553 -1.010904 -0.113821
O -1.731153 0.628218 0.574495
O -2.368916 -1.440676 -0.432616
N -0.464912 0.511853 -0.187549
N -3.931790 0.079754 0.463881
C 1.911175 0.931721 0.033151
C 2.893814 1.837489 0.778461
C 2.124957 0.916761 -1.474934
C 0.525454 0.962930 0.556467
C 1.560708 -2.107616 -0.493154
C -2.678893 -0.364438 0.118692
C -5.127609 -0.747506 0.274564
H 2.769714 1.783791 1.875398
H 3.929123 1.540381 0.527314
H 2.753735 2.889191 0.463851
H 3.116388 0.466739 -1.689550
H 2.134233 1.954013 -1.860084
H 1.334386 0.362497 -2.004231
H 0.361120 1.308675 1.590001
H 0.514982 -1.762210 -0.467585
H 1.654026 -3.134842 -0.109749
H 2.002171 -2.021121 -1.496382
H -4.008852 1.014957 0.864559
H -5.630576 -0.952533 1.237366
H -4.812919 -1.703456 -0.172799
H -5.845356 -0.258531 -0.409130


