%chk=000163683.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163683

0 1
 S    3.685600      0.3167000      0.1252000    
 P   -4.065700      0.1559000     -9.2600003E-02
 O    3.451700       1.625900      0.7038000    
 O    4.750300     -0.5270000      0.6335000    
 O   0.7557000       1.274000      0.1275000    
 O   -4.035700      0.8686000       1.359100    
 O   -5.379100     -0.7859000     -2.8600000E-02
 O   -4.038200       1.106900      -1.253200    
 N    2.195000     -0.5899000      5.4000001E-02
 N   -1.530300     -0.1104000      1.3200000E-02
 C  -0.2974000     -0.8874000     -4.6999999E-03
 C   0.8896000      5.4600000E-02  6.6399999E-02
 C   -2.691400     -0.9826000     -6.7100003E-02
 C    2.353900      -2.074400     -2.0400001E-02
 C    3.956000      0.5549000      -1.616100    
 H  -0.2326000      -1.454500     -0.9387000    
 H  -0.2592000      -1.568500      0.8520000    
 H   -2.688100      -1.577300     -0.9858000    
 H   -2.758700      -1.650900      0.7972000    
 H   -1.575100      0.4302000      0.8772000    
 H    2.012200      -2.527100      0.9142000    
 H    3.390800      -2.373700     -0.1897000    
 H    1.777700      -2.472700     -0.8599000    
 H    4.880100       1.124200      -1.738800    
 H    4.055500     -0.4193000      -2.098100    
 H    3.117800       1.115800      -2.033400    
 H   -4.679800       1.583300       1.550000    
 H   -6.265000     -0.3689000     -8.7300003E-02


%chk=000163683-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163683

0 1
S 3.643451 -0.094395 -0.355247
P -3.358278 -0.158712 -0.474033
O 4.261343 0.154917 1.116141
O 4.436551 -1.035318 -1.418912
O 1.025204 0.881761 0.846385
O -3.510485 1.580631 -0.416138
O -4.984937 -0.780027 -0.381089
O -2.524520 -0.653412 -1.752248
N 1.906394 -0.979465 -0.249489
N -1.305420 -0.308677 1.466475
C -0.349333 -1.148346 0.746174
C 0.921162 -0.326373 0.462093
C -2.704601 -0.535243 1.309276
C 1.886801 -2.361524 -0.736226
C 3.209943 1.565966 -1.179558
H -0.764740 -1.501206 -0.223950
H -0.060209 -2.047367 1.332060
H -2.991453 -1.585374 1.484692
H -3.296664 0.114416 1.972100
H -0.973668 0.652511 1.611021
H 1.821766 -3.094276 0.089395
H 2.831402 -2.535073 -1.286946
H 1.049119 -2.509715 -1.441489
H 4.171394 2.085898 -1.298355
H 2.745234 1.307244 -2.140466
H 2.517270 2.050684 -0.479299
H -3.389697 2.029164 -1.292661
H -5.437431 -0.928190 -1.250807


