%chk=000129211.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129211

0 1
 S    5.665800      -1.742700      0.4095000    
 O   -3.776500      -1.366300      0.5700000    
 O    6.440400       1.128200     -7.3700003E-02
 O    5.073000      -2.998500     -2.5200000E-02
 O    7.031600      -1.414700      2.8999999E-02
 O   -4.629100       1.260900      0.9171000    
 N   -1.313400     -9.3999997E-02 -5.2200001E-02
 N    5.523400      -1.621800       2.107300    
 C   7.6899998E-02  0.2394000      0.2718000    
 C   0.9560000      5.0500002E-02 -0.9779000    
 C    2.419500      0.3316000     -0.7358000    
 C   0.1163000       1.671800      0.8046000    
 C   -1.492100      -1.534800     -0.1188000    
 C    3.269000     -0.6964000     -0.3270000    
 C    4.621200     -0.4367000     -0.1031000    
 C    2.922200       1.619600     -0.9206000    
 C   -2.934100      -1.882000     -0.4525000    
 C    5.123700      0.8514000     -0.2878000    
 C    4.274100       1.879500     -0.6965000    
 C   -5.039000     -0.9854000      0.1968000    
 C   -5.463100      0.3318000      0.3726000    
 C   -5.902100      -1.927100     -0.3633000    
 C    6.862900       2.473300     -0.2880000    
 C   -6.750500      0.7072000     -1.1200000E-02
 C   -7.189400      -1.551700     -0.7473000    
 C   -7.613800     -0.2346000     -0.5712000    
 C   -4.802500       2.613000      0.4973000    
 C   -3.470600       3.328300      0.5758000    
 H   0.4390000     -0.4070000       1.082900    
 H   0.5994000      0.6998000      -1.790000    
 H   0.8822000     -0.9682000      -1.375500    
 H   -1.938400      0.2816000      0.6611000    
 H  -0.5880000       1.802600       1.634800    
 H    1.105000       1.926200       1.198500    
 H  -0.1435000       2.399100      2.7500000E-02
 H   -1.239800      -1.982500      0.8506000    
 H  -0.8590000      -1.995900     -0.8817000    
 H    2.863100      -1.693500     -0.1766000    
 H    2.272000       2.428600      -1.243200    
 H   -3.199500      -1.468900      -1.435100    
 H   -3.052300      -2.970800     -0.4909000    
 H    4.591000       2.903400     -0.8614000    
 H    6.336100      -1.274100       2.630600    
 H    4.998400      -2.357600       2.595600    
 H   -5.588400      -2.958600     -0.4987000    
 H    6.740600       2.773900      -1.334200    
 H    6.375600       3.165900      0.4067000    
 H    7.935800       2.511100     -7.1599998E-02
 H   -7.132300       1.713300      0.1344000    
 H   -7.862800      -2.285600      -1.180300    
 H   -8.618800      5.5199999E-02 -0.8637000    
 H   -5.524800       3.104700       1.158300    
 H   -5.149000       2.678700     -0.5417000    
 H   -3.573000       4.379400      0.2916000    
 H   -2.741400       2.854200     -8.8799998E-02
 H   -3.060900       3.273900       1.589700    


%chk=000129211-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000129211

0 1
S 5.382904 -1.499326 1.601882
O -3.713834 -0.649912 -0.099500
O 6.761816 0.765694 0.154594
O 4.144019 -2.307119 2.279499
O 6.646681 -2.342213 1.021428
O -5.047521 1.268053 1.139567
N -1.093758 0.036157 -0.844437
N 5.891617 -0.238674 2.832148
C 0.271783 0.475735 -0.482959
C 1.294366 -0.076245 -1.530765
C 2.743648 0.146232 -1.140447
C 0.308126 2.014259 -0.416786
C -1.452303 -1.343624 -0.468388
C 3.330499 -0.610953 -0.090984
C 4.660410 -0.378728 0.268795
C 3.551567 1.117347 -1.780984
C -2.903878 -1.628163 -0.850872
C 5.466671 0.602864 -0.349212
C 4.892146 1.355971 -1.399789
C -5.099021 -0.645646 -0.305722
C -5.822881 0.386423 0.373945
C -5.793295 -1.572491 -1.112721
C 7.681283 1.636687 -0.588252
C -7.226781 0.456923 0.233835
C -7.201157 -1.490520 -1.247755
C -7.914820 -0.480894 -0.575404
C -5.756057 2.338837 1.866676
C -4.692192 3.136040 2.616714
H 0.572747 0.076280 0.519458
H 1.068830 0.402104 -2.501648
H 1.106898 -1.160047 -1.655228
H -1.814054 0.686617 -0.500197
H -0.371057 2.388731 0.371942
H 1.324821 2.377487 -0.189578
H -0.013940 2.444744 -1.383753
H -1.321019 -1.543388 0.623590
H -0.810340 -2.065931 -1.010353
H 2.767508 -1.385648 0.443404
H 3.121218 1.708225 -2.597953
H -3.057615 -1.478983 -1.938383
H -3.192101 -2.660389 -0.566301
H 5.474966 2.125207 -1.914678
H 6.722669 0.251464 2.460462
H 6.044587 -0.707450 3.740067
H -5.246971 -2.361582 -1.637433
H 7.774330 1.303582 -1.638403
H 7.347103 2.690882 -0.550662
H 8.649317 1.532607 -0.077903
H -7.793255 1.238951 0.747648
H -7.726767 -2.216867 -1.876305
H -9.003302 -0.412442 -0.673853
H -6.489804 1.887899 2.566628
H -6.304467 2.978270 1.143828
H -5.163863 3.957261 3.186675
H -3.963927 3.571800 1.911514
H -4.146449 2.486602 3.321910


