%chk=000135933.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135933

0 1
 S    3.198500     -0.2355000      -1.645100    
 O   -2.780100      -2.713300     -0.3174000    
 O    4.513500     -0.5830000      -2.143400    
 O    2.385300      0.7907000      -2.264900    
 N   -1.831000       2.296700     -0.6083000    
 N    1.413500      -2.815100      0.4439000    
 N    2.306100      -1.592800      -1.359100    
 C   -1.402700       3.562700      -1.219600    
 C   -1.430100       2.226300      0.8039000    
 C   0.1151000       3.730100      -1.135900    
 C   8.7099999E-02   2.349800      0.9537000    
 C   0.6061000       3.627300      0.3037000    
 C   -3.278300       2.129800     -0.7381000    
 C   -3.740900      0.8036000     -0.1960000    
 C   -3.035400     -0.3483000     -0.5144000    
 C   -4.866000      0.7522000      0.6147000    
 C   -3.463800      -1.576900     -1.1700000E-02
 C  -0.6953000      -3.892200     -0.1663000    
 C   -5.294400     -0.4764000       1.117300    
 C   0.8157000      -3.852500     -0.3625000    
 C    2.716700     -0.7646000      0.7993000    
 C    2.107300      -1.786600     -7.8699999E-02
 C    3.372600      0.1823000      3.0400001E-02
 C   -1.378400      -2.584900     -0.5507000    
 C   -4.593400      -1.641000      0.8040000    
 C    2.704700     -0.6593000       2.177100    
 C    4.039600       1.263100      0.5609000    
 C    3.373500      0.4280000       2.752100    
 C    4.034800       1.380000       1.951000    
 H   -1.893600       4.417100     -0.7351000    
 H   -1.689400       3.579600      -2.278200    
 H   -1.917700       3.020800       1.385000    
 H   -1.707600       1.274800       1.269100    
 H   0.4044000       4.699800      -1.556400    
 H   0.6029000       2.959500      -1.745200    
 H   0.5673000       1.481700      0.4871000    
 H   0.3596000       2.337400       2.014900    
 H    1.700900       3.645100      0.3296000    
 H   0.2553000       4.496500      0.8734000    
 H   -3.805000       2.952800     -0.2363000    
 H   -3.567400       2.165200      -1.796700    
 H   -2.185200     -0.2826000      -1.187000    
 H   -5.421100       1.651600      0.8653000    
 H  -0.9312000      -4.122800      0.8808000    
 H   -1.122400      -4.713700     -0.7545000    
 H    1.043000      -3.737700      -1.428400    
 H    1.239800      -4.815900     -5.7900000E-02
 H   -6.174000     -0.5265000       1.752600    
 H   -1.209000      -2.371800      -1.612500    
 H  -0.9543000      -1.776500      5.7300001E-02
 H   -4.931800      -2.595100       1.198700    
 H    1.297200      -2.904700       1.449000    
 H    2.200100      -1.381900       2.807800    
 H    4.543900       1.991600     -6.2100001E-02
 H    3.383000      0.5417000       3.833100    
 H    4.545000       2.214800       2.424100    


%chk=000135933-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000135933

0 1
S 2.993451 0.268997 -1.304925
O -2.576315 -2.615545 0.338633
O 4.137614 0.218986 -2.450292
O 1.967493 1.527561 -1.282890
N -2.202132 2.541987 -0.666587
N 1.805048 -3.148727 0.332161
N 2.020461 -1.381904 -1.210792
C -1.768199 3.587841 -1.628587
C -1.888559 2.913683 0.736718
C -0.259621 3.878225 -1.503289
C -0.380584 3.176145 0.920113
C 0.104304 4.273382 -0.054294
C -3.623216 2.174435 -0.844539
C -3.991407 0.835257 -0.208107
C -3.056147 -0.230690 -0.220986
C -5.278131 0.632517 0.341754
C -3.423325 -1.489568 0.306168
C -0.585064 -3.866412 -0.077609
C -5.635189 -0.633978 0.865266
C 0.889514 -3.917207 -0.537676
C 3.276017 -1.235398 0.915525
C 2.333914 -1.937257 -0.026253
C 3.754479 -0.012358 0.421614
C -1.220392 -2.478897 -0.216963
C -4.715347 -1.699261 0.850681
C 3.715529 -1.658736 2.190099
C 4.641715 0.822905 1.101620
C 4.613148 -0.839495 2.914541
C 5.074384 0.388426 2.381170
H -2.339209 4.542848 -1.467559
H -2.001759 3.233445 -2.651017
H -2.462159 3.831949 1.039511
H -2.220665 2.090380 1.395649
H 0.013607 4.685783 -2.210218
H 0.315388 2.975879 -1.782109
H 0.177211 2.243024 0.712441
H -0.186309 3.466965 1.971342
H 1.197306 4.415162 0.036752
H -0.378336 5.239864 0.205283
H -4.318017 2.963716 -0.454633
H -3.809111 2.108878 -1.936340
H -2.063261 -0.026294 -0.635618
H -5.998001 1.459435 0.361719
H -0.670954 -4.195116 0.976434
H -1.165430 -4.587667 -0.683490
H 0.996295 -3.506140 -1.556289
H 1.231833 -4.968557 -0.555764
H -6.633329 -0.789506 1.290334
H -1.266577 -2.164008 -1.278843
H -0.655569 -1.709799 0.347280
H -4.968592 -2.685984 1.250670
H 2.019438 -3.525512 1.255548
H 3.381691 -2.605090 2.631229
H 4.988639 1.767144 0.672103
H 4.956167 -1.161890 3.902840
H 5.769261 1.007176 2.957873


