%chk=000160023.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000160023

0 1
 S    6.962700      -2.278400      0.6817000    
 O    1.610100       1.093700      -1.087500    
 O    4.545300       2.784400       1.230000    
 O   -8.936300      -1.855400      0.8579000    
 O    8.357100      -2.675300      0.6205000    
 O    6.455100      -1.543200       1.823000    
 N   -1.534200       1.161400      0.5399000    
 N    6.558000      -1.484300     -0.7919000    
 N   -8.057000      -1.093500       1.608000    
 N   -8.546800      -1.936700     -0.4680000    
 C    1.247900       2.004000     -3.1199999E-02
 C   6.8000001E-03   2.772900     -0.5345000    
 C   0.8382000       1.222700       1.238500    
 C   -1.211700       1.859500     -0.7102000    
 C  -0.4011000      0.3519000       1.003400    
 C    2.373900       3.010300      0.2384000    
 C   -2.724200      0.3284000      0.3696000    
 C    3.677100       2.307600      0.5088000    
 C    2.846400      0.5184000     -0.9823000    
 C    3.884900       1.037600     -0.2089000    
 C   -3.943800       1.180900      1.7500000E-02
 C    3.051100     -0.6505000      -1.717900    
 C    5.116000      0.3796000     -0.1422000    
 C   -5.183100      0.3361000     -0.1389000    
 C    5.308600     -0.7969000     -0.8667000    
 C    4.279700      -1.308900      -1.656700    
 C   -5.972100      0.1096000      0.9975000    
 C   -5.477700     -0.1799000      -1.422800    
 C   -7.105500     -0.6889000      0.7575000    
 C   -6.604800     -0.9798000      -1.684800    
 C   -7.416800      -1.224700     -0.5621000    
 C    5.996100      -3.762500      0.5146000    
 H   0.2255000       3.240500      -1.503100    
 H  -0.2453000       3.579500      0.1670000    
 H   0.6330000       1.926000       2.056600    
 H    1.648500      0.5684000       1.579600    
 H   -2.017900       2.527000      -1.025000    
 H   -1.035300       1.148500      -1.527600    
 H  -0.1675000     -0.4468000      0.2872000    
 H  -0.6572000     -0.1320000       1.953900    
 H    2.127500       3.644100       1.097700    
 H    2.540200       3.656000     -0.6328000    
 H   -2.560500     -0.4388000     -0.3995000    
 H   -2.931300     -0.2053000       1.306700    
 H   -3.821700       1.730600     -0.9210000    
 H   -4.112400       1.942700      0.7904000    
 H    2.254000      -1.061200      -2.332100    
 H    5.928600      0.7884000      0.4529000    
 H    4.421500      -2.224500      -2.225200    
 H   -5.733100      0.5096000       1.974900    
 H   -4.809200      4.0700000E-02  -2.254300    
 H    6.801600      -2.001100      -1.647600    
 H   -6.819400      -1.369900      -2.671600    
 H    6.280700      -4.270800     -0.4086000    
 H    6.215900      -4.403800       1.371200    
 H    4.935800      -3.505000      0.5125000    


%chk=000160023-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000160023

0 1
S 7.327180 -2.330701 0.605354
O 1.709917 1.091082 -1.184219
O 4.481608 2.548269 1.611300
O -9.195334 -1.872809 0.967760
O 8.598237 -3.214254 0.116926
O 7.410288 -1.273464 1.827704
N -1.549104 1.038486 0.290511
N 6.815333 -1.326926 -0.969485
N -8.244625 -1.144305 1.781734
N -8.834624 -1.865974 -0.432380
C 1.244051 1.961568 -0.027449
C 0.041724 2.735124 -0.596578
C 0.794115 1.034542 1.126888
C -1.152938 1.814481 -0.912743
C -0.425607 0.176376 0.741846
C 2.398078 2.899575 0.378778
C -2.807626 0.280598 0.104329
C 3.687634 2.147154 0.715218
C 2.975022 0.519129 -1.079511
C 3.961162 0.960659 -0.143032
C -4.062388 1.196446 0.182606
C 3.270319 -0.536485 -1.977008
C 5.226471 0.326442 -0.108665
C -5.346956 0.405330 0.012612
C 5.520919 -0.742838 -0.989063
C 4.519184 -1.173212 -1.916489
C -6.143531 0.077542 1.109429
C -5.720244 -0.040455 -1.324089
C -7.321383 -0.704319 0.881346
C -6.856816 -0.795889 -1.582173
C -7.680907 -1.143555 -0.461959
C 5.874037 -3.531317 1.020797
H 0.356243 3.272171 -1.510501
H -0.270042 3.484207 0.155151
H 0.523608 1.675583 1.987177
H 1.627808 0.381984 1.447685
H -2.004415 2.436414 -1.240837
H -0.884939 1.135543 -1.760228
H -0.128007 -0.557558 -0.048614
H -0.757032 -0.398888 1.625453
H 2.110196 3.520255 1.244550
H 2.620359 3.586184 -0.464751
H -2.817300 -0.286107 -0.861900
H -2.879988 -0.470397 0.913226
H -3.998525 1.974088 -0.602553
H -4.042201 1.713964 1.157473
H 2.506423 -0.849939 -2.694499
H 5.984407 0.695078 0.590299
H 4.736710 -2.001395 -2.603041
H -5.886553 0.404930 2.120829
H -5.072566 0.251740 -2.159462
H 7.039744 -1.959194 -1.757359
H -7.127485 -1.115629 -2.591601
H 5.824540 -4.259994 0.200355
H 6.156886 -3.993965 1.976500
H 4.970830 -2.912476 1.108756


