%chk=000043685.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043685

0 1
 S   -5.077200      0.7029000      7.9499997E-02
 S    5.072200      0.7109000     -7.9300001E-02
 O   -3.588900      2.6200000E-02  7.1900003E-02
 O    3.591100      2.4000000E-02 -7.1999997E-02
 O   -5.308900       1.358600      -1.195100    
 O   -5.279100       1.396600       1.339000    
 O    5.309200       1.358000       1.195100    
 O    5.279500       1.395900      -1.339000    
 N  -5.0000002E-04  0.8262000       0.000000    
 C   -6.000300     -0.8005000      0.1128000    
 C    6.000800     -0.8012000     -0.1128000    
 C   -7.490100     -0.5396000     -4.6399999E-02
 C    7.490500     -0.5401000      4.6300001E-02
 C   -8.289400      -1.840200      2.7000001E-03
 C    8.289800      -1.840700     -2.7999999E-03
 C   -1.199000      1.9000000E-03  4.4000000E-02
 C    1.199500      8.9999998E-04 -4.4000000E-02
 C   -2.447600      0.8694000      4.5899998E-02
 C    2.447900      0.8685000     -4.5800000E-02
 C   -9.775800      -1.588700     -0.1947000    
 C    9.776200      -1.589100      0.1946000    
 H   -5.785700      -1.300400       1.062600    
 H   -5.636100      -1.426700     -0.7084000    
 H    5.784700      -1.299600      -1.063000    
 H    5.635300      -1.425900      0.7090000    
 H   -7.836600      0.1358000      0.7455000    
 H   -7.679000     -2.8700000E-02 -0.9985000    
 H    7.836600      0.1353000     -0.7456000    
 H    7.679200     -2.9100001E-02  0.9984000    
 H   -7.935600      -2.524800     -0.7770000    
 H   -8.132400      -2.337500      0.9670000    
 H    7.936100      -2.525300      0.7770000    
 H    8.132800      -2.338000     -0.9670000    
 H   -1.238600     -0.6779000     -0.8167000    
 H   -1.202200     -0.6292000      0.9415000    
 H    1.238100     -0.6715000      0.8223000    
 H    1.202800     -0.6379000     -0.9363000    
 H   -2.461400       1.522100      0.9263000    
 H   -2.485000       1.494100     -0.8539000    
 H    2.463200       1.520700     -0.9267000    
 H    2.483800       1.493100      0.8542000    
 H  -2.8400000E-02   1.436000     -0.8167000    
 H   -9.969500      -1.123000      -1.166200    
 H   -10.32850      -2.532400     -0.1542000    
 H   -10.16930     -0.9307000      0.5867000    
 H    9.969900      -1.123300       1.166100    
 H    10.32900      -2.532900      0.1543000    
 H    10.16980     -0.9313000     -0.5869000    


%chk=000043685-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043685

0 1
S -5.176133 0.886343 0.066996
S 5.173838 0.879425 0.123792
O -3.616340 0.099757 0.789564
O 3.605149 0.092213 0.826103
O -4.799427 1.462230 -1.405885
O -5.894766 1.864054 1.137429
O 5.878925 1.855845 1.204371
O 4.815611 1.457107 -1.352997
N -0.001043 0.502987 -0.008881
C -6.144495 -0.779380 -0.054366
C 6.143678 -0.786216 0.012251
C -7.636487 -0.508838 -0.239098
C 7.637821 -0.515061 -0.153157
C -8.433642 -1.840109 -0.261596
C 8.435185 -1.846236 -0.171713
C -1.267880 -0.200328 0.242344
C 1.261752 -0.202941 0.255062
C -2.378432 0.845650 0.480164
C 2.371816 0.840741 0.504797
C -9.946327 -1.592456 -0.447581
C 9.950111 -1.598004 -0.337546
H -5.892668 -1.272364 0.898384
H -5.654227 -1.281924 -0.902923
H 5.664291 -1.287382 -0.843317
H 5.879812 -1.280729 0.960935
H -8.005052 0.128564 0.586673
H -7.810801 0.041566 -1.183417
H 7.823577 0.039373 -1.092945
H 7.996313 0.118839 0.679707
H -8.058798 -2.486238 -1.080195
H -8.260017 -2.390838 0.684364
H 8.249696 -2.401343 0.769438
H 8.070638 -2.488557 -0.997927
H -1.586132 -0.884847 -0.577083
H -1.152702 -0.812525 1.155328
H 1.136001 -0.815275 1.166554
H 1.587022 -0.887766 -0.561344
H -2.114554 1.501897 1.327403
H -2.528769 1.457126 -0.434570
H 2.532664 1.452637 -0.407870
H 2.100590 1.496880 1.349808
H 0.003929 1.034402 -0.886697
H -10.149886 -1.069762 -1.400248
H -10.505243 -2.545332 -0.457937
H -10.350675 -0.970399 0.372025
H 10.344146 -0.979284 0.489567
H 10.508977 -2.550945 -0.344561
H 10.165854 -1.071656 -1.285505


