%chk=000021444.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021444

0 1
 S    2.616500      0.8541000     -6.5000001E-03
 O   -1.145000     -0.3667000      2.7000001E-03
 O  -0.2213000       1.744100      3.3000000E-03
 N    4.679100      -1.114400      1.6000000E-03
 C   -3.484400     -0.9120000      4.3000001E-03
 C   -2.455900      0.2084000      4.1000000E-03
 C   -4.904400     -0.3752000     -9.3999999E-03
 C  -0.1080000      0.5263000      2.4999999E-03
 C    1.184500     -0.2503000     -1.0000000E-03
 C    3.838900     -0.3145000     -1.5000000E-03
 H   -3.323100      -1.559400     -0.8659000    
 H   -3.334700      -1.548500      0.8847000    
 H   -2.577200      0.8316000     -0.8897000    
 H   -2.576500      0.8313000      0.8982000    
 H   -5.086000      0.2315000     -0.9023000    
 H   -5.622300      -1.201400     -8.5000005E-03
 H   -5.098100      0.2440000      0.8723000    
 H    1.210900     -0.8784000     -0.8972000    
 H    1.216100     -0.8769000      0.8961000    


%chk=000021444-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021444

0 1
S 2.658597 0.920157 0.000595
O -1.155965 -0.404132 -0.000709
O -0.167250 1.713616 -0.002573
N 4.877411 -1.019880 0.003627
C -3.539566 -0.913172 -0.000601
C -2.520651 0.225191 -0.002696
C -4.983460 -0.362063 -0.002815
C -0.079271 0.466273 -0.001041
C 1.215616 -0.331236 0.001692
C 3.950991 -0.258323 0.002830
H -3.373603 -1.551214 -0.888128
H -3.374691 -1.547033 0.890113
H -2.601768 0.864571 -0.900885
H -2.602541 0.868683 0.892478
H -5.177796 0.256660 -0.898466
H -5.714397 -1.189074 -0.000749
H -5.178586 0.261796 0.889102
H 1.288825 -0.965386 -0.895164
H 1.287205 -0.961836 0.901190


