%chk=000160139.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000160139

0 1
 S  -0.5201000      -1.713800     -3.4499999E-02
 O   -2.370700       2.549700     -0.1396000    
 O    1.431800       3.134800     -0.7779000    
 O   -5.410100      0.3749000     -0.6034000    
 O   -4.743400      0.7140000       1.557700    
 O    3.439700      -1.844500      -1.281000    
 O    4.466300      -2.618500      0.5864000    
 N   -2.313600      0.2077000     -0.4088000    
 N   0.5681000       1.153100      6.2700003E-02
 N    6.080100     -0.4450000      0.7794000    
 C   -1.169900     -0.3873000      -1.075800    
 C  -0.4986000      0.9913000     -0.9408000    
 C   -1.882600       1.487300     -0.4466000    
 C   -3.381900     -0.5029000      3.5900000E-02
 C   -2.071700      -2.672600     -9.5399998E-02
 C   -3.334400      -1.851200      0.1549000    
 C    1.448500       2.227800      5.0200000E-02
 C    2.465200       2.138500       1.176000    
 C   -4.502000      -2.717300      0.5627000    
 C    3.333600      0.8808000       1.119800    
 C   -4.569300      0.2627000      0.4437000    
 C    4.135300      0.7895000     -0.1881000    
 C    5.077100     -0.4210000     -0.2849000    
 C    4.322600      -1.738400     -0.2527000    
 H   -1.384100     -0.6763000      -2.111700    
 H  -0.2158000       1.417800      -1.910800    
 H   0.6456000      0.4728000      0.8144000    
 H   -2.146800      -3.167700      -1.069700    
 H   -1.979600      -3.451500      0.6691000    
 H    3.097300       3.033400       1.135100    
 H    1.922500       2.170800       2.128100    
 H    2.718400     -1.7100001E-02   1.241500    
 H    4.015900      0.9125000       1.976700    
 H   -5.428200      -2.153300      0.7023000    
 H   -4.282300      -3.228500       1.505800    
 H   -4.694600      -3.473100     -0.2060000    
 H    3.442900      0.7647000      -1.038300    
 H    4.729000       1.706000     -0.3032000    
 H    5.614100     -0.3849000      -1.240000    
 H   -6.219400      0.8798000     -0.3745000    
 H    6.572200      0.4474000      0.8038000    
 H    5.629200     -0.5429000       1.687800    
 H    2.950200      -2.694100      -1.255900    


%chk=000160139-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000160139

0 1
S -0.297938 -1.507123 0.283684
O -2.586822 2.270824 0.957709
O 1.581546 2.851491 -1.327626
O -4.909963 1.050712 -0.593525
O -5.791343 -0.688762 0.669893
O 2.676341 -1.652841 -1.049155
O 3.389039 -2.227033 1.087784
N -2.399217 0.183724 -0.313544
N 0.563056 1.579471 0.330776
N 5.827029 -0.994038 0.672733
C -1.057335 -0.144301 -0.814647
C -0.609000 1.328386 -0.466614
C -2.017910 1.459843 0.215904
C -3.438086 -0.738490 -0.036493
C -1.769164 -2.674881 -0.015001
C -3.169413 -2.085848 0.092207
C 1.616235 2.363592 -0.160097
C 2.794317 2.542524 0.796921
C -4.227940 -3.148435 0.304945
C 3.621521 1.235048 0.967084
C -4.814472 -0.170365 0.077228
C 4.250432 0.749924 -0.360177
C 4.778907 -0.730305 -0.309019
C 3.586280 -1.632410 0.001111
H -1.011902 -0.468230 -1.864450
H -0.513420 1.944721 -1.379533
H 0.602416 1.223951 1.288222
H -1.630382 -3.138964 -1.009411
H -1.647431 -3.471085 0.740520
H 3.428965 3.341475 0.377775
H 2.429885 2.880047 1.786972
H 2.974221 0.442717 1.392898
H 4.414138 1.414413 1.717725
H -5.232328 -2.813771 0.010087
H -4.285574 -3.418788 1.377720
H -3.965212 -4.068713 -0.250859
H 3.516849 0.820202 -1.184283
H 5.100611 1.405601 -0.634187
H 5.122730 -0.979999 -1.333351
H -5.808301 1.445263 -0.429646
H 6.583211 -0.314002 0.732356
H 5.510357 -1.400494 1.555006
H 1.801569 -2.049652 -0.751242


