%chk=000085974.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085974

0 1
 S    1.211600     -0.1064000       2.509700    
 P    1.050400     -4.7699999E-02  0.5690000    
 O  -0.4166000     -0.3460000     -5.2700002E-02
 O    1.978400      -1.086000     -0.2724000    
 O    1.413000       1.365200     -0.1516000    
 C   -2.862200     -0.1962000     -0.1682000    
 C   -1.546400      0.3830000      0.4332000    
 C   -4.088800      0.5163000      0.4317000    
 C   -2.866700      3.8400002E-02  -1.694000    
 C   -3.000700      -1.710100      7.9599999E-02
 C   -1.295700       1.867200      0.1761000    
 C    1.958300      -2.466800      4.8200000E-02
 C    2.751100       1.833300     -0.1499000    
 C    2.903300      -3.201900     -0.8782000    
 C    2.811100       3.157700     -0.8806000    
 H   -1.604000      0.2308000       1.517400    
 H   -4.081300      0.4558000       1.525600    
 H   -5.019800      5.4000001E-02  8.2900003E-02
 H   -4.138200       1.572400      0.1502000    
 H   -2.858700       1.104300      -1.944700    
 H   -3.765600     -0.3912000      -2.152100    
 H   -2.000000     -0.4285000      -2.174700    
 H   -3.938600      -2.099500     -0.3322000    
 H   -2.180200      -2.269000     -0.3836000    
 H   -2.990000      -1.930200       1.152900    
 H   -2.189300       2.470900      0.3531000    
 H  -0.5404000       2.266400      0.8594000    
 H  -0.9553000       2.052400     -0.8478000    
 H    2.278100      -2.612500       1.083800    
 H   0.9391000      -2.848900     -6.6299997E-02
 H    3.093400       1.960100      0.8814000    
 H    3.394500       1.101800     -0.6481000    
 H    2.911800      -4.273100     -0.6584000    
 H    2.608400      -3.057800      -1.922900    
 H    3.921800      -2.812200     -0.7786000    
 H    3.832100       3.549100     -0.8979000    
 H    2.457600       3.045700      -1.910900    
 H    2.158400       3.893200     -0.3988000    


%chk=000085974-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000085974

0 1
S 1.137847 0.023793 2.448895
P 1.052687 0.097686 0.377853
O -0.495405 0.002221 -0.356668
O 1.908053 -1.130374 -0.485858
O 1.693612 1.489374 -0.410998
C -2.923792 -0.219044 -0.200027
C -1.698248 0.570499 0.354758
C -4.199015 0.275411 0.537371
C -3.080972 -0.012832 -1.728529
C -2.724976 -1.729607 0.100778
C -1.706675 2.091965 0.156978
C 1.807185 -2.540298 -0.005647
C 3.104238 1.882771 -0.106480
C 2.779365 -3.348492 -0.859585
C 3.322041 3.231354 -0.785348
H -1.583235 0.332312 1.434190
H -4.087132 0.202506 1.636321
H -5.062565 -0.349964 0.245236
H -4.444253 1.322052 0.282975
H -3.319601 1.037095 -1.978203
H -3.905022 -0.642978 -2.111763
H -2.152152 -0.292157 -2.255354
H -3.607411 -2.304546 -0.236107
H -1.835206 -2.118627 -0.422927
H -2.594452 -1.908155 1.185421
H -2.570315 2.546871 0.672902
H -0.788789 2.537715 0.579325
H -1.748273 2.355042 -0.912956
H 2.068800 -2.573929 1.069590
H 0.763685 -2.885311 -0.135538
H 3.231768 1.945504 0.991940
H 3.776504 1.103329 -0.510260
H 2.747566 -4.411639 -0.557271
H 2.511640 -3.279525 -1.927397
H 3.810959 -2.978715 -0.732089
H 4.359043 3.573891 -0.612075
H 3.156919 3.149979 -1.872900
H 2.629478 3.988821 -0.380954


