%chk=000086696.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086696

0 1
 S   -1.769400      -1.279000      0.1097000    
 S    1.425000     -9.2299998E-02  0.8477000    
 S   -6.152000      -1.170800      0.1762000    
 S    4.818500     -0.2787000       1.701000    
 P    3.458700     -0.3263000      0.2874000    
 O   -1.522500      -2.374900     -0.8744000    
 O   -1.533400       1.475200       1.433000    
 O    3.557600      -1.681700     -0.6222000    
 O    3.764400      0.7617000     -0.8945000    
 N   -1.530100       2.588100     -0.6018000    
 C  -0.9966000      0.2311000     -0.5805000    
 C   0.5180000      5.0999999E-02 -0.7284000    
 C   -3.468200     -0.7045000     -0.1130000    
 C   -1.376800       1.475700      0.2141000    
 C   -4.446800      -1.757700      0.3770000    
 C   -1.897700       3.890300     -9.5299996E-02
 C    3.359600      -2.956300     -3.3300001E-02
 C    3.791900       2.149000     -0.6024000    
 H   -1.411300      0.3242000      -1.592700    
 H   0.9331000      0.9152000      -1.258000    
 H   0.7454000     -0.8368000      -1.328100    
 H   -3.612700      0.2172000      0.4569000    
 H   -3.623800     -0.4911000      -1.176300    
 H   -4.334700      -2.691600     -0.1840000    
 H   -4.281900      -1.985400       1.435700    
 H   -1.401900       2.494800      -1.604900    
 H   -2.973100       4.021300     -0.2382000    
 H   -1.357700       4.647800     -0.6682000    
 H   -1.653400       3.979900      0.9659000    
 H   -6.748600      -2.264500      0.6726000    
 H    4.270000      -3.269700      0.4834000    
 H    2.521700      -2.938400      0.6675000    
 H    3.140000      -3.675000     -0.8269000    
 H    3.004200       2.418300      0.1052000    
 H    4.767900       2.418800     -0.1916000    
 H    3.635300       2.702600      -1.531600    


%chk=000086696-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000086696

0 1
S -1.796502 -0.795553 0.726249
S 1.249723 0.927844 0.727192
S -5.785632 -2.888172 -0.188834
S 4.700373 0.061886 1.566669
P 3.250783 -0.073099 0.109109
O -0.819503 -2.097189 0.314722
O -3.180715 1.972681 -0.131877
O 2.785712 -1.601743 -0.528073
O 3.565310 0.616145 -1.453438
N -1.088552 2.985955 0.078953
C -1.248718 0.609161 -0.633447
C 0.247626 0.444111 -0.833649
C -3.481652 -1.252442 -0.147463
C -1.907510 1.916987 -0.206718
C -4.164709 -2.354631 0.651651
C -1.627078 4.280226 0.520865
C 2.300623 -2.650184 0.420310
C 4.472258 1.782472 -1.519303
H -1.774133 0.251471 -1.537245
H 0.616998 1.043912 -1.681426
H 0.458934 -0.626006 -1.017420
H -4.045656 -0.307399 -0.194539
H -3.168959 -1.590949 -1.150234
H -3.520046 -3.241116 0.762173
H -4.481214 -2.009788 1.649375
H -0.070808 2.853110 0.077214
H -1.302542 5.091923 -0.154701
H -1.295806 4.514641 1.549062
H -2.725979 4.212374 0.504619
H -5.185566 -3.544143 -1.252819
H 2.944504 -2.689567 1.317763
H 1.242438 -2.454894 0.674550
H 2.392712 -3.583236 -0.155000
H 4.013774 2.667967 -1.041505
H 5.440840 1.556994 -1.039126
H 4.607373 1.957750 -2.596660


