%chk=000170756.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170756

0 1
 S    5.648300      0.1973000      3.4600001E-02
 O    6.669800      -1.044200      0.3095000    
 O    5.631700       1.056200       1.204400    
 O    5.904400      0.7265000      -1.292600    
 C  -0.9140000     -0.4972000     -3.3900000E-02
 C   -2.144100      0.4132000     -6.1700001E-02
 C   0.3816000      0.3156000     -9.0099998E-02
 C   -3.437900     -0.4037000     -3.8800001E-02
 C    1.609000     -0.5982000     -9.4800003E-02
 C   -4.703000      0.4592000     -4.1700002E-02
 C    2.934300      0.1666000     -8.0100000E-02
 C   -5.995200     -0.3549000      5.5799998E-02
 C    4.153200     -0.7412000     -7.1999999E-03
 C   -7.224600      0.5545000      3.6200002E-02
 C   -8.513400     -0.2496000      0.1004000    
 H  -0.9276000      -1.106900      0.8776000    
 H  -0.9499000      -1.187400     -0.8856000    
 H   -2.120900       1.089600      0.8012000    
 H   -2.123400       1.037100     -0.9632000    
 H   0.4282000      0.9899000      0.7735000    
 H   0.3900000      0.9414000     -0.9906000    
 H   -3.460500      -1.075000     -0.9061000    
 H   -3.443800      -1.040900      0.8545000    
 H    1.577500      -1.247100     -0.9788000    
 H    1.569600      -1.256200      0.7823000    
 H   -4.658200       1.162200      0.7995000    
 H   -4.720500       1.062700     -0.9576000    
 H    2.996800      0.7952000     -0.9772000    
 H    2.938000      0.8529000      0.7759000    
 H   -5.987900     -0.9471000      0.9788000    
 H   -6.044900      -1.061300     -0.7816000    
 H    4.199600      -1.408200     -0.8735000    
 H    4.119900      -1.344700      0.9057000    
 H   -7.188900       1.247200      0.8850000    
 H   -7.225700       1.160300     -0.8775000    
 H   -8.595300     -0.9286000     -0.7543000    
 H   -8.559100     -0.8446000       1.018100    
 H   -9.379100      0.4201000      8.6300001E-02
 H    6.795100      -1.665600     -0.4459000    


%chk=000170756-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170756

0 1
S 5.786407 0.205793 -0.134023
O 6.858857 -1.311795 0.056322
O 5.943731 1.155780 1.166362
O 5.998207 0.841870 -1.607462
C -0.944729 -0.555723 -0.012846
C -2.192325 0.356231 -0.025086
C 0.383466 0.232871 -0.054670
C -3.522338 -0.430041 0.008148
C 1.628009 -0.684453 -0.032644
C -4.770972 0.480533 0.000331
C 2.948570 0.128107 -0.088848
C -6.101731 -0.304705 0.029586
C 4.151819 -0.811482 -0.047678
C -7.350238 0.606883 0.022808
C -8.675439 -0.185085 0.051969
H -0.966342 -1.192790 0.895968
H -0.988908 -1.247682 -0.879724
H -2.152231 1.044730 0.844742
H -2.169150 0.998012 -0.930543
H 0.425314 0.928905 0.808202
H 0.407825 0.863383 -0.967189
H -3.564275 -1.116292 -0.863591
H -3.545012 -1.074628 0.911822
H 1.584217 -1.384435 -0.891739
H 1.610111 -1.305632 0.886017
H -4.730908 1.165147 0.873486
H -4.747489 1.127182 -0.901891
H 2.969698 0.731867 -1.016367
H 2.987640 0.829511 0.766273
H -6.127153 -0.951981 0.931372
H -6.144292 -0.988628 -0.844069
H 4.239770 -1.480946 -0.917758
H 4.263569 -1.366790 0.896802
H -7.306825 1.289831 0.895837
H -7.323742 1.253344 -0.878238
H -8.757283 -0.852850 -0.826531
H -8.739873 -0.816037 0.958680
H -9.551702 0.489090 0.046594
H 7.814847 -1.021996 0.016076


