%chk=000085148.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085148

0 1
 S    1.099300      0.4261000      -1.246300    
 S    4.398400      0.6233000      -2.451900    
 P    3.200600      0.3930000     -0.9149000    
 O    3.530500     -0.9726000     -7.7900000E-02
 O    3.509300       1.468500      0.2776000    
 O   -1.580300       2.139300      0.8896000    
 O   -1.446900      -2.286900     -0.4731000    
 N   -1.084600     -6.7199998E-02  0.2320000    
 C   -3.255800      0.5757000      0.2833000    
 C   -3.214600     -0.7494000     -0.1245000    
 C   0.3614000     -5.1800001E-02  0.3277000    
 C   -1.882700       1.020400      0.5187000    
 C   -1.814400      -1.171100     -0.1559000    
 C    4.820500      -1.182200      0.4726000    
 C   -4.445000       1.262900      0.4137000    
 C   -4.360600      -1.457200     -0.4235000    
 C   -5.619400      0.5660000      0.1154000    
 C   -5.577600     -0.7809000     -0.2990000    
 C    5.132500     -6.4900003E-02   1.456400    
 C    4.865800      -2.550400       1.135700    
 C    3.363300       2.859500      4.4100001E-02
 H   0.6669000      0.6638000       1.096600    
 H   0.7144000      -1.051100      0.5984000    
 H    5.564300      -1.182100     -0.3306000    
 H   -4.477500       2.298000      0.7327000    
 H   -4.329000      -2.492600     -0.7417000    
 H    5.518900      0.8271000      0.9553000    
 H    4.278800      0.1843000       2.094800    
 H    5.947000     -0.3750000       2.123000    
 H    4.612700      -3.332900      0.4122000    
 H    4.127000      -2.617200       1.942000    
 H    5.856500      -2.763900       1.548200    
 H   -6.579600       1.067400      0.2038000    
 H   -6.506200      -1.298800     -0.5242000    
 H    4.245400       3.240000     -0.4766000    
 H    3.278200       3.365900       1.008800    
 H    2.466100       3.066900     -0.5437000    


%chk=000085148-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000085148

0 1
S 1.178141 -0.614682 -1.413630
S 4.339804 1.124654 -2.237411
P 3.150948 0.329276 -0.747521
O 3.754763 -0.972812 0.214064
O 2.713017 1.402872 0.561304
O -0.956647 1.921695 0.314351
O -1.870257 -2.697444 0.085724
N -1.066273 -0.456996 0.232379
C -3.094987 0.675780 0.054203
C -3.372911 -0.711832 -0.014886
C 0.343570 -0.754573 0.326150
C -1.619282 0.862383 0.210419
C -2.085002 -1.463949 0.093567
C 5.233340 -1.045418 0.522132
C -4.119162 1.631694 -0.018908
C -4.683935 -1.189933 -0.159250
C -5.448887 1.158431 -0.166647
C -5.726973 -0.230629 -0.235832
C 5.591769 -0.050784 1.633181
C 5.460493 -2.511014 0.898341
C 2.262801 2.779750 0.225322
H 0.859434 -0.026470 0.971034
H 0.477044 -1.789237 0.668598
H 5.772384 -0.792207 -0.413238
H -3.893205 2.701089 0.035725
H -4.886192 -2.264131 -0.211713
H 5.386219 0.988453 1.323964
H 5.006633 -0.263424 2.544727
H 6.667518 -0.135438 1.875439
H 5.157283 -3.176985 0.073571
H 4.875234 -2.773950 1.796762
H 6.531119 -2.679408 1.115885
H -6.274833 1.874790 -0.229274
H -6.763265 -0.565429 -0.350846
H 2.907873 3.217039 -0.558662
H 2.369712 3.340566 1.166249
H 1.206311 2.758172 -0.086472


