%chk=000175027.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000175027

0 1
 S   0.5138000      -3.242300       1.347000    
 O    3.559500       2.191900     -0.2922000    
 O    3.933700      -3.347700     -0.4016000    
 O   -8.344300      0.4678000      0.8299000    
 O   -7.704300       2.638600      0.6189000    
 N    2.242800      -1.784700      1.7300000E-02
 C    4.511900       1.274400      0.2540000    
 C    5.511200      0.9125000     -0.8556000    
 C    5.228000       1.942100       1.439200    
 C    3.750200      2.9899999E-02  0.7133000    
 C    6.362500       2.109400      -1.283200    
 C    6.077900       3.136900       1.004000    
 C    7.065900       2.753200     -9.2900001E-02
 C    2.977000     -0.6292000     -0.4185000    
 C   0.8637000      -1.685600      0.4909000    
 C  -0.1250000      -1.498300     -0.6532000    
 C    2.812100      -3.065500      1.0600000E-02
 C    1.876700      -4.115600      0.5583000    
 C   -1.462000     -0.9568000     -0.1512000    
 C   -2.436600     -0.7331000      -1.309700    
 C   -3.748700     -0.1651000     -0.8325000    
 C   -3.923700       1.216700     -0.7573000    
 C   -4.787200      -1.020800     -0.4650000    
 C   -5.137300       1.742800     -0.3147000    
 C   -6.000800     -0.4947000     -2.2399999E-02
 C   -6.175900      0.8872000      5.2700002E-02
 C   -7.441200       1.436100      0.5138000    
 H    4.994300      0.5695000      -1.758500    
 H    6.171700      0.1031000     -0.5205000    
 H    4.494400       2.293200       2.175500    
 H    5.872600       1.212000       1.945000    
 H    3.038700      0.3082000       1.502300    
 H    4.441600     -0.6950000       1.161900    
 H    7.107900       1.784900      -2.018400    
 H    5.730700       2.854900      -1.781400    
 H    5.426700       3.943200      0.6450000    
 H    6.623800       3.532100       1.868200    
 H    7.612700       3.643000     -0.4246000    
 H    7.808200       2.055000      0.3131000    
 H    2.280600      7.4699998E-02 -0.8841000    
 H    3.663600     -0.9689000      -1.199500    
 H   0.8139000     -0.8605000       1.209100    
 H    2.932800       2.429000      0.4125000    
 H   0.2747000     -0.7738000      -1.373600    
 H  -0.2686000      -2.425800      -1.223200    
 H    1.506300      -4.734000     -0.2633000    
 H    2.400200      -4.736200       1.289500    
 H   -1.298400     -1.0600000E-02  0.3806000    
 H   -1.909400      -1.650400      0.5709000    
 H   -1.994900     -5.4699998E-02  -2.050900    
 H   -2.617000      -1.677700      -1.838700    
 H   -3.121200       1.893200      -1.038800    
 H   -4.661200      -2.099000     -0.5175000    
 H   -5.253400       2.822100     -0.2629000    
 H   -6.782300      -1.196700      0.2542000    
 H   -9.194000      0.8482000       1.139100    


%chk=000175027-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000175027

0 1
S 0.345491 -3.109327 1.530923
O 3.549486 2.113848 -0.222426
O 3.883258 -3.585731 -0.249292
O -8.494086 0.350754 0.907173
O -7.924543 2.578780 0.588039
N 2.267873 -1.910986 0.047682
C 4.616727 1.174866 0.241723
C 5.551877 1.002295 -0.978059
C 5.378211 1.801981 1.439683
C 3.949516 -0.157556 0.674467
C 6.306430 2.302728 -1.339469
C 6.112167 3.109134 1.063395
C 7.072994 2.876422 -0.125609
C 3.150427 -0.838788 -0.460719
C 0.904093 -1.591093 0.489558
C -0.068102 -1.320327 -0.675996
C 2.740705 -3.210747 0.146927
C 1.723107 -4.161788 0.788041
C -1.454206 -0.842405 -0.197093
C -2.427257 -0.593500 -1.384252
C -3.786374 -0.096361 -0.920631
C -4.075784 1.293554 -0.871221
C -4.783247 -1.010710 -0.486254
C -5.318666 1.758688 -0.401770
C -6.030564 -0.557148 -0.015751
C -6.305172 0.834493 0.030291
C -7.603594 1.366744 0.514700
H 4.955732 0.666505 -1.846436
H 6.275197 0.195326 -0.744558
H 4.666221 1.981188 2.273676
H 6.115976 1.062412 1.811576
H 3.267639 0.053439 1.525316
H 4.719743 -0.859326 1.046390
H 7.002532 2.104380 -2.177137
H 5.570705 3.050254 -1.692134
H 5.369961 3.881848 0.781859
H 6.665353 3.491500 1.942789
H 7.574376 3.823413 -0.403113
H 7.870864 2.167150 0.179998
H 2.542417 -0.081508 -0.986817
H 3.837282 -1.309073 -1.185287
H 0.919261 -0.731796 1.187242
H 3.046896 2.425380 0.574221
H 0.375215 -0.543573 -1.334471
H -0.165931 -2.242333 -1.280863
H 1.325940 -4.859078 0.032216
H 2.214624 -4.733560 1.589136
H -1.349662 0.093112 0.389381
H -1.894070 -1.598530 0.482460
H -1.969433 0.142398 -2.073708
H -2.539846 -1.539375 -1.949318
H -3.319798 2.011972 -1.210381
H -4.577551 -2.087347 -0.523955
H -5.549659 2.828465 -0.364718
H -6.798084 -1.262816 0.314049
H -9.337767 0.774852 1.219425


