%chk=000036203.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036203

0 1
 S   0.6698000     -0.7097000      -1.314600    
 O  -0.5916000      -2.260700      0.4861000    
 O   -1.836800      0.8949000     -0.6900000    
 O   -1.716600      1.9999999E-04   1.431300    
 N    3.728100      0.9528000      0.7676000    
 C    1.618200     -7.4500002E-02  9.2000000E-02
 C    2.973000      0.4443000     -0.3737000    
 C  -0.8501000      -1.239800     -0.4624000    
 C   -1.502700     -6.0899999E-02  0.2269000    
 C   -2.491200       2.053400     -0.1631000    
 H    1.059300      0.7366000      0.5702000    
 H    1.753000     -0.8796000      0.8223000    
 H    3.555000     -0.3519000     -0.8513000    
 H    2.853800       1.253500      -1.102700    
 H   -1.548100      -1.643000      -1.203300    
 H    3.840500      0.2137000       1.460700    
 H    3.196700       1.690500       1.228800    
 H   -1.449500      -2.578000      0.8162000    
 H   -1.838300       2.564900      0.5505000    
 H   -3.437000       1.772200      0.3098000    
 H   -2.702300       2.731800     -0.9940000    


%chk=000036203-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000036203

0 1
S 0.658210 -0.583343 -1.397139
O -0.759385 -2.173812 0.472002
O -2.392715 0.763132 -0.790914
O -1.378991 0.419887 1.287852
N 3.940336 0.696953 0.875179
C 1.738439 -0.302149 0.147157
C 3.021757 0.473154 -0.251183
C -0.968969 -1.168415 -0.524853
C -1.594833 0.074288 0.094384
C -2.957920 2.046410 -0.297699
H 1.150462 0.278218 0.881623
H 1.991187 -1.290766 0.567193
H 3.563054 -0.079775 -1.041127
H 2.740702 1.451052 -0.683320
H -1.571436 -1.588055 -1.341002
H 4.397788 -0.141652 1.241526
H 3.586413 1.311310 1.612996
H -0.601482 -1.711261 1.341386
H -2.141861 2.756826 -0.085212
H -3.546225 1.874433 0.618648
H -3.591333 2.404266 -1.120200


