%chk=000042835.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042835

0 1
 S   -4.291200     -1.1000000E-03  -2.034400    
 O   -3.062500      -1.635600       1.866500    
 O   -7.608100     -0.3077000       1.341400    
 O   -6.753700      -2.416000       1.194700    
 O  -0.1316000      -1.292700      0.8047000    
 O    2.493000       1.706900      -2.132100    
 O    3.472200      -1.607200      8.4600002E-02
 N   -4.531200      -1.565500      2.0400001E-02
 N   -1.641300     -0.7266000     -0.8633000    
 N    1.707900      0.4176000     -0.3552000    
 N    6.373100       1.081800     -0.7845000    
 N    6.018500      -2.274800      0.7013000    
 C   -3.938200      -1.647500      -1.317700    
 C   -5.871700      0.1283000      -1.057100    
 C   -5.525100     -0.5459000      0.2879000    
 C   -2.576200      -1.825400     -0.6325000    
 C   -3.353300      -1.712200      0.6943000    
 C   -6.978800     -0.5741000      -1.854900    
 C   -6.219400       1.605800     -0.8669000    
 C   -6.668500      -1.215800      0.9808000    
 C  -0.4775000     -0.5498000     -0.1120000    
 C   0.3016000      0.6962000     -0.5135000    
 C  -0.1264000       1.906900      0.2824000    
 C   -1.154500       2.703400     -0.1950000    
 C   0.5168000       2.197000       1.474600    
 C    2.676700      0.9519000      -1.183600    
 C   -1.550000       3.821200      0.5397000    
 C   0.1212000       3.314800       2.209400    
 C    4.039000      0.5218000     -0.8187000    
 C  -0.9122000       4.126800       1.741900    
 C    4.346400     -0.7923000     -0.1807000    
 C    5.061700       1.351200      -1.070100    
 C    5.769300      -1.078300      0.1253000    
 C    6.739700     -0.1245000     -0.1892000    
 C    8.060400     -0.4398000      0.1180000    
 C    8.359400      -1.663100      0.7127000    
 C    7.314600      -2.535400      0.9808000    
 H   -4.302600      -2.505000      -1.890600    
 H   -5.076300      0.1658000      0.9940000    
 H   -2.117500      -2.807500     -0.7870000    
 H   -7.091800     -0.1359000      -2.853900    
 H   -6.784500      -1.645300      -1.979300    
 H   -7.950200     -0.4749000      -1.357900    
 H   -6.374600       2.108900      -1.828600    
 H   -7.142300       1.724100     -0.2894000    
 H   -5.428400       2.144800     -0.3323000    
 H   -1.836400     -5.1100001E-02  -1.598400    
 H   0.1355000      0.8934000      -1.580700    
 H   -8.369200     -0.7285000       1.795100    
 H    1.982600     -0.1751000      0.4232000    
 H   -1.658000       2.474900      -1.129700    
 H    1.312700       1.575500       1.873000    
 H   -2.355200       4.452900      0.1761000    
 H   0.6149000       3.551000       3.147600    
 H   -1.221100       4.996300       2.314600    
 H    4.935200       2.326900      -1.525400    
 H    7.075000       1.773200      -1.010800    
 H    8.862600      0.2597000     -0.1015000    
 H    9.382000      -1.926100      0.9592000    
 H    7.502100      -3.499000       1.443200    


%chk=000042835-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042835

0 1
S -4.219035 -0.207170 -1.976122
O -4.338142 0.269364 2.315430
O -8.651887 -0.790242 0.206162
O -7.410530 -2.746395 0.433293
O -0.085204 -1.338730 0.951093
O 2.396301 2.019653 -1.575370
O 3.742363 -1.260351 0.861621
N -5.008748 -1.097145 0.417707
N -1.855354 -0.035642 0.175761
N 1.795509 0.430265 0.020626
N 6.327958 0.754605 -1.706632
N 6.449474 -2.059200 0.702866
C -3.931714 -1.432223 -0.548292
C -6.142441 -0.329079 -1.657406
C -6.282331 -0.583042 -0.082596
C -2.872092 -0.990572 0.533478
C -4.123844 -0.461764 1.336587
C -6.685535 -1.500722 -2.504132
C -6.785057 1.011199 -2.055668
C -7.453076 -1.521462 0.221504
C -0.510008 -0.264750 0.436790
C 0.412283 0.914505 0.067727
C 0.223903 2.091256 1.045162
C 0.189423 3.415653 0.544291
C 0.115766 1.869624 2.441375
C 2.703525 1.038260 -0.808343
C 0.040949 4.507544 1.429328
C -0.032931 2.960766 3.323925
C 4.106154 0.488970 -0.779186
C -0.072887 4.282582 2.820441
C 4.532676 -0.639761 0.071774
C 5.007330 1.127274 -1.616534
C 5.981019 -1.017063 -0.055406
C 6.845134 -0.302818 -0.949008
C 8.212027 -0.678251 -1.051874
C 8.672234 -1.745657 -0.268583
C 7.752770 -2.406966 0.594861
H -3.901686 -2.465602 -0.917507
H -6.491377 0.381185 0.417553
H -2.372525 -1.847802 1.017466
H -6.460938 -1.324208 -3.568908
H -6.235951 -2.465375 -2.212807
H -7.784275 -1.582325 -2.395416
H -6.673543 1.194775 -3.138718
H -7.865309 0.988133 -1.820726
H -6.326287 1.854040 -1.510326
H -2.146861 0.862668 -0.217970
H 0.162099 1.279640 -0.948227
H -9.415597 -1.399822 0.397626
H 2.099875 -0.385058 0.590189
H 0.314598 3.583942 -0.531268
H 0.147634 0.846810 2.836049
H 0.018908 5.529799 1.035083
H -0.122592 2.781856 4.401120
H -0.191311 5.128473 3.507118
H 4.659034 1.962574 -2.232375
H 6.951567 1.260030 -2.339244
H 8.886400 -0.141743 -1.730192
H 9.716203 -2.070081 -0.314570
H 8.080547 -3.245127 1.219899


