%chk=000086289.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086289

1 1
 S    2.635700       3.406400     -9.3699999E-02
 O   -1.124000      -1.828800     -1.7000000E-03
 O    1.579400      -4.200700      0.5795000    
 O    2.402500      0.5601000       1.408700    
 O    3.760000       4.575300      7.6499999E-02
 O    1.759200       3.427800       1.061700    
 O    2.114200       3.452800      -1.446600    
 N    2.938800      -1.721900     -0.5802000    
 C    1.780400      -1.823200      0.3421000    
 C    3.816000     -0.5141000     -0.2231000    
 C   0.9352000      -3.052400      2.5500000E-02
 C    2.957100      0.7067000      0.1017000    
 C    2.467000      -1.556700      -2.031400    
 C    3.809500      -2.983500     -0.5022000    
 C  -0.4945000      -2.976000      0.5530000    
 C    3.726800       2.021200      4.4599999E-02
 C   -3.119300     -0.4555000     -0.1727000    
 C   -2.470900      -1.710100      0.4353000    
 C   -4.632700     -0.4648000      0.1297000    
 C   -2.397900      0.8436000      0.2511000    
 C   -5.402500      0.6673000     -0.5583000    
 C   -6.899800      0.6592000     -0.2382000    
 C   -2.474500       1.171300       1.736000    
 C   -7.665600       1.796000     -0.8973000    
 H    1.144100     -0.9476000      0.2029000    
 H    2.160900      -1.876800       1.369000    
 H    4.403500     -0.8035000      0.6572000    
 H    4.498600     -0.3373000      -1.061400    
 H   0.8439000      -3.220400      -1.049400    
 H    2.125400      0.7807000     -0.6068000    
 H    1.667100     -0.8127000      -2.070200    
 H    3.317600      -1.230700      -2.638500    
 H    2.120900      -2.514900      -2.425600    
 H    4.023900      -3.198500      0.5487000    
 H    3.308500      -3.816600      -1.000800    
 H    4.743600      -2.775300      -1.034700    
 H  -0.4873000      -2.910600       1.648100    
 H   -1.045700      -3.883800      0.2787000    
 H   -2.995200     -0.5271000      -1.262600    
 H    4.316600       2.164500      0.9560000    
 H    4.386500       2.057800     -0.8283000    
 H   -2.508900      -1.679200       1.530000    
 H   -3.021300      -2.600000      0.1056000    
 H   -5.057400      -1.419900     -0.2057000    
 H   -4.800700     -0.4196000       1.212300    
 H   -1.339400      0.7736000     -3.0500000E-02
 H   -2.793700       1.691000     -0.3197000    
 H   -5.262200      0.5949000      -1.643600    
 H   -4.998700       1.636900     -0.2473000    
 H    1.042500      -4.978500      0.3506000    
 H    1.787200       1.297900       1.556400    
 H   -7.039600      0.7225000      0.8475000    
 H   -7.334400     -0.2947000     -0.5599000    
 H   -2.019700      0.3872000       2.347500    
 H   -3.507300       1.316800       2.064300    
 H   -1.931400       2.100600       1.937700    
 H   -7.283500       2.767100     -0.5672000    
 H   -7.578000       1.744800      -1.987100    
 H   -8.727200       1.740700     -0.6372000    
 H    4.379500       4.682000     -0.6832000    


%chk=000086289-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000086289

1 1
S 2.849452 3.620776 -0.326184
O -1.227778 -2.110227 -0.106881
O 1.548542 -4.562971 0.011209
O 1.477401 0.698962 -0.105689
O 2.812058 4.457360 1.304416
O 1.329658 3.312429 -0.845944
O 3.888248 4.324283 -1.333623
N 2.979651 -1.818976 -0.424258
C 1.662523 -2.163359 0.335820
C 3.561081 -0.505929 0.157151
C 0.824490 -3.307851 -0.232998
C 2.905368 0.797495 -0.349279
C 2.731101 -1.685725 -1.922467
C 4.022727 -2.920367 -0.183955
C -0.557555 -3.269957 0.461899
C 3.541921 1.973421 0.422545
C -3.203519 -0.655878 -0.226552
C -2.470088 -1.722472 0.604258
C -4.530858 -0.287304 0.495600
C -2.302579 0.568512 -0.558227
C -5.437675 0.681742 -0.297021
C -6.813451 0.895081 0.375806
C -1.856890 1.419404 0.653124
C -7.715739 1.876129 -0.402692
H 1.060101 -1.240798 0.325417
H 1.972083 -2.414753 1.366042
H 3.453595 -0.587197 1.252473
H 4.634829 -0.498278 -0.099706
H 0.622475 -3.168722 -1.314457
H 3.113980 0.928442 -1.433695
H 1.864691 -1.028876 -2.086802
H 3.633588 -1.271299 -2.399043
H 2.534457 -2.684506 -2.336513
H 4.329780 -2.890787 0.873183
H 3.551111 -3.891262 -0.394673
H 4.890343 -2.736854 -0.837271
H -0.451219 -3.191231 1.566611
H -1.114960 -4.206724 0.234483
H -3.468636 -1.130710 -1.194949
H 3.214901 2.022112 1.472595
H 4.633323 2.074654 0.312545
H -2.200860 -1.339793 1.612583
H -3.114954 -2.618188 0.729890
H -5.101264 -1.220425 0.689027
H -4.312388 0.150205 1.491686
H -1.408547 0.198817 -1.096195
H -2.849389 1.215353 -1.270064
H -5.590687 0.288198 -1.323717
H -4.938024 1.664975 -0.410038
H 0.984635 -5.340386 -0.231514
H 1.038578 1.560964 -0.392784
H -6.661192 1.270897 1.408354
H -7.326952 -0.083077 0.473900
H -1.248278 0.834488 1.367853
H -2.720633 1.832900 1.203701
H -1.247879 2.280868 0.318200
H -7.241972 2.872313 -0.486528
H -7.910111 1.509672 -1.428176
H -8.691939 2.009194 0.097419
H 2.588130 5.426537 1.186902


