%chk=000129724.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129724

0 1
 S   -1.953500      -1.752700      0.8697000    
 O  -0.3402000       1.183500      -2.610400    
 O   -4.337100       1.053000     -1.4700000E-02
 O    3.448900       3.108100      0.4006000    
 O   -1.200300      0.4836000       2.817500    
 O    2.059600       4.380500       1.662400    
 O   -5.521900      -2.229900      0.7433000    
 O    6.509000      -3.567300      -1.567200    
 O   -7.749100      -1.814000      0.6221000    
 N   -1.759400       1.025700     -0.7783000    
 N   -4.893200     -0.7738000      -1.332200    
 N   0.8299000       5.451800     -0.4552000    
 C   -2.583600     -4.9699999E-02  -1.279100    
 C    1.174500       3.264600      -1.500000    
 C  -1.8000000E-03   2.665900     -0.7261000    
 C   -2.022300      -1.428500     -0.9227000    
 C    1.837500       4.434400     -0.7643000    
 C  -0.6966000       1.555400      -1.495700    
 C   -4.018200      0.1624000     -0.7998000    
 C  -0.3224000      -1.140200       1.271300    
 C    2.067700      -1.260500      0.9401000    
 C    2.427200       3.988900      0.5617000    
 C   0.7830000      -1.717800      0.6468000    
 C  -0.1430000     -0.1051000       2.189100    
 C    3.215400      -1.858100      0.2925000    
 C    2.247100     -0.2254000       1.857700    
 C   -6.300800     -0.7964000      -1.009400    
 C    1.141800      0.3522000       2.482200    
 C    4.358700      -1.094000      5.8300000E-02
 C    3.178600      -3.196400     -9.8899998E-02
 C    5.465200      -1.668400     -0.5673000    
 C    4.285000      -3.770800     -0.7245000    
 C   -6.614300      -1.654200      0.1894000    
 C    5.428400      -3.006700     -0.9588000    
 H   -2.605600      3.3000000E-02  -2.373900    
 H    1.915400       2.478800      -1.695300    
 H   0.8263000       3.608400      -2.483100    
 H  -0.7603000       3.427200     -0.5108000    
 H   0.3410000       2.252800      0.2276000    
 H   -1.033900      -1.554200      -1.375700    
 H   -2.647900      -2.217500      -1.352100    
 H   -1.960100       1.391700      0.1483000    
 H    2.632400       4.880500      -1.371200    
 H   -4.552400      -1.464500      -1.993500    
 H   0.6221000      -2.512700     -7.7000000E-02
 H   0.3996000       5.778400      -1.319700    
 H    1.282700       6.265300     -3.9700001E-02
 H    3.229000      0.1442000       2.139800    
 H   -6.642500      0.2231000     -0.8077000    
 H   -6.825300      -1.205300      -1.877500    
 H    1.297600       1.155000       3.198100    
 H    4.422200     -4.0399998E-02  0.3161000    
 H    2.323800      -3.839600      9.1300003E-02
 H    6.350800      -1.066900     -0.7533000    
 H    4.247100      -4.816500      -1.018100    
 H    3.829300       2.827800       1.260300    
 H  -0.8726000       1.182200       3.409500    
 H   -5.751700      -2.781400       1.521300    
 H    6.309700      -4.497800      -1.768600    


%chk=000129724-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000129724

0 1
S -1.487426 -1.537169 1.257045
O -1.341252 1.885873 -2.621418
O -4.376389 0.762835 0.706465
O 3.051114 3.977704 -1.205115
O -0.444665 1.232374 2.134195
O 2.493144 4.296550 1.024097
O -6.528240 -2.472879 -2.201805
O 6.869658 -5.026115 -0.612667
O -8.407903 -2.145674 -0.869772
N -1.877656 1.150312 -0.473256
N -4.988663 -0.800332 -0.889560
N 0.264686 5.786678 0.348290
C -2.655375 0.003751 -0.913624
C 0.128560 4.173370 -1.566842
C -0.335981 3.022672 -0.664856
C -1.919622 -1.329283 -0.595143
C 1.009499 5.185124 -0.760998
C -1.232364 1.994809 -1.357817
C -4.071396 0.042083 -0.288117
C 0.258282 -0.935990 1.288826
C 2.666104 -1.430983 0.943316
C 2.227201 4.464533 -0.190370
C 1.296829 -1.810526 0.902493
C 0.592667 0.366855 1.744949
C 3.741693 -2.380075 0.543620
C 2.966884 -0.115660 1.391700
C -6.353584 -0.891464 -0.371733
C 1.949527 0.774701 1.782902
C 4.955431 -1.916819 -0.040282
C 3.597847 -3.781243 0.734119
C 5.980507 -2.803128 -0.416584
C 4.614385 -4.683535 0.360723
C -7.219958 -1.877480 -1.131854
C 5.810359 -4.192346 -0.215982
H -2.736534 0.088309 -2.017962
H 0.697613 3.790761 -2.430706
H -0.744268 4.722134 -1.966138
H -0.845004 3.446608 0.220708
H 0.548025 2.465873 -0.289227
H -0.970599 -1.378686 -1.153013
H -2.538795 -2.208361 -0.845070
H -1.771137 1.286365 0.541518
H 1.407442 5.927453 -1.492347
H -4.764300 -1.336848 -1.730023
H 1.017473 -2.807967 0.546802
H -0.410237 6.505493 0.088531
H 0.800134 5.973297 1.198008
H 4.010789 0.205738 1.473616
H -6.350129 -1.183987 0.696167
H -6.855996 0.096189 -0.398780
H 2.208165 1.787342 2.120409
H 5.089881 -0.846496 -0.232068
H 2.693626 -4.174420 1.211477
H 6.906782 -2.443583 -0.874036
H 4.479871 -5.759841 0.530300
H 3.821892 3.491277 -0.805284
H -0.079309 2.096470 2.452135
H -7.127564 -3.104257 -2.682591
H 6.654773 -5.976683 -0.442174


