%chk=000118543.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118543

0 1
 S    3.199600       2.087900     -2.2500001E-02
 S   -3.199500       2.089100      2.2500001E-02
 O    2.601300       2.402300       1.464700    
 O   -2.601300       2.404200      -1.464700    
 O    4.472500       2.783100     -0.1270000    
 O    2.143800       2.315100     -0.9947000    
 O   -4.473200       2.782700      0.1267000    
 O   -2.144200       2.317600      0.9949000    
 O  -5.9000002E-03  -2.203500     -3.0000001E-04
 N    1.155400     -0.1691000     -8.6000003E-03
 N   -1.152600     -0.1654000      9.1000004E-03
 N    6.492200      -1.854800     -4.9300000E-02
 N   -6.487400      -1.857800      4.8799999E-02
 C    2.493900     -0.5693000     -1.8900000E-02
 C   -2.507600     -0.5724000      1.9300001E-02
 C    3.527400      0.3675000     -2.6200000E-02
 C   -3.525300      0.3683000      2.6100000E-02
 C    4.855500     -5.9300002E-02 -3.6400001E-02
 C   -4.852800     -6.0199998E-02  3.6200002E-02
 C    2.788300      -1.932700     -2.1600001E-02
 C   -2.783300      -1.931000      2.2000000E-02
 C    5.149800      -1.422800     -3.9200000E-02
 C   -5.145400      -1.424000      3.9000001E-02
 C  -6.6000000E-03 -0.9767000      9.9999997E-05
 C    4.116100      -2.359400     -3.1900000E-02
 C   -4.110700      -2.359400      3.1900000E-02
 H    5.676200      0.6529000     -3.9700001E-02
 H   -5.674400      0.6510000      3.9299998E-02
 H   0.9850000      0.8317000     -2.4999999E-03
 H  -0.9839000      0.8354000      3.1999999E-03
 H    2.055600      -2.725600     -1.6400000E-02
 H   -2.051700      -2.723600      1.7300000E-02
 H    4.334300      -3.424500     -3.3900000E-02
 H   -4.327600      -3.424800      3.4000002E-02
 H    6.705700      -2.843300     -5.0500002E-02
 H    7.242600      -1.176900     -5.3900000E-02
 H   -6.699600      -2.846600      5.1500000E-02
 H   -7.238600      -1.180700      5.4600000E-02
 H    3.212500       2.213500       2.215300    
 H   -3.212100       2.214600      -2.215300    


%chk=000118543-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000118543

0 1
S 3.259629 2.081183 0.073749
S -3.262307 2.075204 -0.068609
O 3.022734 2.206620 1.910759
O -3.021527 2.203735 -1.904810
O 4.566315 2.924556 -0.354796
O 1.814532 2.442800 -0.605319
O -4.571085 2.916011 0.358701
O -1.819144 2.437577 0.614037
O 0.001994 -2.300562 -0.001473
N 1.152229 -0.231761 -0.074893
N -1.151700 -0.234057 0.077485
N 6.619787 -1.882484 -0.033878
N -6.616237 -1.894309 0.028906
C 2.489857 -0.675721 -0.040405
C -2.488435 -0.680455 0.040807
C 3.574331 0.246267 -0.005759
C -3.574461 0.239678 0.007028
C 4.934344 -0.106147 -0.001959
C -4.933852 -0.114959 0.001659
C 2.876363 -2.049972 -0.063304
C -2.872539 -2.055404 0.060632
C 5.286378 -1.479432 -0.029553
C -5.283530 -1.488931 0.026315
C 0.000995 -1.031307 0.000359
C 4.224107 -2.432719 -0.049199
C -4.219630 -2.440433 0.044761
H 5.695703 0.681333 0.011424
H -5.696526 0.671269 -0.010858
H 1.031455 0.784576 -0.242169
H -1.032959 0.782070 0.247406
H 2.081097 -2.797284 -0.090866
H -2.075965 -2.801370 0.087229
H 4.465929 -3.502186 -0.065026
H -4.459613 -3.510348 0.058142
H 6.863096 -2.868096 -0.056930
H 7.373661 -1.202300 -0.014134
H -6.857821 -2.880395 0.049722
H -7.371288 -1.215412 0.009992
H 2.653579 3.118753 2.102023
H -2.655495 3.117513 -2.094196


