%chk=000111448.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000111448

0 1
 S    2.466800      -1.250200     -0.7077000    
 O    2.367000       2.079900      0.5437000    
 O  -0.9266000      -2.033800      3.6100000E-02
 O    1.145500       2.524500      -1.966800    
 O   -3.110700      -1.463500       1.738100    
 O   -1.575500       3.051000      -2.049900    
 O   -4.465500      0.9332000       1.409400    
 O    1.099700      0.8610000       2.037500    
 O  -0.5958000      -2.862500      -2.091600    
 C   0.3830000       2.551100     -0.7580000    
 C   -2.692500     -0.5350000      0.7349000    
 C    3.361200      0.1684000       1.465600    
 C   0.9000000      -3.469500     -0.2709000    
 C    3.056800      -1.250900       1.000700    
 C    2.218400      -3.037500     -0.9023000    
 C    1.287800       3.005900      0.3814000    
 C   -2.073500      -1.310700     -0.4223000    
 C  -0.7836000       3.509500     -0.9592000    
 C   -3.915400      0.2539000      0.2857000    
 C    2.132200       1.048500       1.408700    
 C  -0.2794000      -2.773300     -0.9131000    
 H   2.2600001E-02   1.529300     -0.5993000    
 H   -1.953200      0.1192000       1.209200    
 H    4.170500      0.6049000      0.8673000    
 H    3.713800      0.1631000       2.503400    
 H   0.8994000      -3.304400      0.8122000    
 H   0.7529000      -4.546900     -0.4108000    
 H    2.294000      -1.691200       1.649900    
 H    3.964700      -1.858100       1.072300    
 H    2.205300      -3.251300      -1.976400    
 H    3.059900      -3.588000     -0.4700000    
 H   0.7308000       3.138500       1.316500    
 H    1.748800       3.970600      0.1408000    
 H   -1.768500     -0.6187000      -1.216100    
 H   -2.796500      -2.031000     -0.8244000    
 H  -0.4312000       4.516300      -1.206700    
 H   -1.412800       3.555200     -6.4900003E-02
 H   -4.690900     -0.4095000     -0.1116000    
 H   -3.647600      0.9943000     -0.4747000    
 H    1.476400       3.423600      -2.133700    
 H   -3.763700      -2.063500       1.338900    
 H   -2.313400       3.676500      -2.148600    
 H   -5.239600       1.428600       1.091500    


%chk=000111448-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000111448

0 1
S 2.776440 -1.545256 -0.867611
O 2.013024 2.277890 0.788733
O -1.156757 -2.517773 0.066167
O 0.900459 3.174358 -1.853638
O -2.977515 -0.893956 1.875495
O -1.925863 3.122359 -2.078814
O -3.398646 1.710067 1.001482
O 0.753007 0.415776 1.398654
O -0.343272 -2.758101 -2.113579
C 0.065157 2.790130 -0.691690
C -2.417190 -0.488967 0.558998
C 3.215758 0.244762 1.235782
C 0.927998 -3.665414 -0.194990
C 3.110613 -1.268025 0.979596
C 2.278451 -3.372047 -0.872319
C 0.748339 3.055481 0.653784
C -2.270295 -1.657612 -0.413811
C -1.303524 3.490739 -0.802898
C -3.301117 0.644152 -0.002738
C 1.863144 0.936969 1.149563
C -0.222323 -2.945284 -0.883349
H -0.078677 1.706402 -0.831711
H -1.419333 -0.097797 0.818107
H 3.920756 0.733306 0.541372
H 3.609855 0.412509 2.258758
H 0.927287 -3.398791 0.874204
H 0.731507 -4.756143 -0.255470
H 2.270445 -1.685409 1.558458
H 4.050379 -1.776143 1.252813
H 2.233429 -3.624008 -1.944734
H 3.086674 -3.956532 -0.400477
H 0.062375 2.783237 1.476802
H 1.072090 4.105804 0.757580
H -2.033750 -1.305970 -1.435617
H -3.183355 -2.283324 -0.456337
H -1.171560 4.594670 -0.729622
H -1.999000 3.153403 -0.015590
H -4.312279 0.253748 -0.258614
H -2.864839 1.107663 -0.904121
H 1.270589 4.083068 -1.705185
H -3.754722 -1.493446 1.727276
H -1.217044 3.201934 -2.772889
H -3.515114 1.249070 1.876981


