%chk=000043699.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043699

0 1
 S    8.246500     -0.3855000      1.3500000E-02
 S   -8.236300      0.3223000      1.4600000E-02
 O    6.777100      0.3265000      3.7000000E-02
 O   -6.746300     -0.3453000      4.2300001E-02
 O    8.465400     -0.9951000      -1.282500    
 O    8.448400      -1.114500       1.249200    
 O   -8.467000      0.9313000      -1.279500    
 O   -8.466000       1.038900       1.252700    
 N   -1.904400     -0.3153000      1.8000000E-03
 C    1.860000      0.4675000     -1.7700000E-02
 C   0.5718000     -0.3613000     -1.5600000E-02
 C    3.097600     -0.4324000     -8.0000004E-03
 C  -0.6943000      0.4968000     -3.9999999E-02
 C    4.383400      0.3909000      2.3800001E-02
 C   -3.094100      0.5242000     -1.2200000E-02
 C    5.619700     -0.4964000     -9.6000005E-03
 C   -4.351200     -0.3381000      4.0700000E-02
 C   -5.613900      0.5122000      5.2999998E-03
 C    9.201700       1.108200      9.0400003E-02
 C   -9.146500      -1.199800      7.9599999E-02
 C    10.67830      0.8320000     -8.4600002E-02
 C   -10.62980     -0.9671000     -0.1014000    
 H    1.879800       1.112500     -0.9043000    
 H    1.873100       1.123600      0.8609000    
 H   0.5727000      -1.031000     -0.8853000    
 H   0.5590000      -1.000800      0.8764000    
 H    3.065600      -1.094600      0.8657000    
 H    3.091500      -1.072000     -0.8989000    
 H  -0.6866000       1.114900     -0.9463000    
 H  -0.6743000       1.174100      0.8226000    
 H    4.412800       1.083400     -0.8267000    
 H    4.409700       1.019000      0.9230000    
 H   -3.087700       1.200600      0.8511000    
 H   -3.113300       1.138800     -0.9205000    
 H   -1.919300     -0.9523000     -0.7940000    
 H    5.625100      -1.175100      0.8504000    
 H    5.636900      -1.092300     -0.9287000    
 H   -4.370100      -1.042700     -0.8011000    
 H   -4.355700     -0.9558000      0.9481000    
 H   -5.643600       1.187100      0.8678000    
 H   -5.645400       1.110700     -0.9118000    
 H    9.005600       1.580700       1.057400    
 H    8.848600       1.767500     -0.7086000    
 H   -8.941000      -1.670800       1.045300    
 H   -8.769900      -1.844300     -0.7207000    
 H    11.04700      0.1527000      0.6908000    
 H    10.88410      0.3718000      -1.056300    
 H    11.24960       1.763200     -2.2399999E-02
 H   -11.02250     -0.3031000      0.6754000    
 H   -10.84470     -0.5086000      -1.071900    
 H   -11.17320      -1.915400     -4.6300001E-02


%chk=000043699-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043699

0 1
S 8.477188 -0.539175 -0.016340
S -8.511637 0.276786 0.001491
O 6.859710 0.388689 -0.190855
O -6.795982 -0.464607 -0.137998
O 8.932922 -1.168577 -1.438027
O 8.396655 -1.504043 1.286425
O -8.989501 0.871303 -1.428189
O -8.577340 1.227816 1.314707
N -1.930584 -0.098452 -0.223047
C 1.884496 0.569163 -0.163317
C 0.555658 -0.218383 -0.190385
C 3.125249 -0.351895 -0.175851
C -0.683941 0.696933 -0.172809
C 4.453915 0.442843 -0.164697
C -3.176570 0.692772 -0.179949
C 5.668114 -0.496292 -0.176736
C -4.405876 -0.243225 -0.160472
C -5.717226 0.553581 -0.127984
C 9.497277 1.057056 0.361801
C -9.358975 -1.427086 0.334458
C 10.984975 0.721673 0.350988
C -10.873681 -1.249448 0.325234
H 1.927783 1.254079 -1.035522
H 1.913848 1.211575 0.741087
H 0.528795 -0.855054 -1.100741
H 0.499446 -0.904919 0.676353
H 3.088272 -1.028427 0.702441
H 3.089451 -1.001272 -1.074855
H -0.608156 1.436969 -1.011365
H -0.693166 1.285672 0.766558
H 4.502173 1.107972 -1.047856
H 4.502275 1.086770 0.734062
H -3.160111 1.303203 0.745019
H -3.268923 1.411477 -1.035221
H -1.926422 -0.745817 -1.025071
H 5.688624 -1.134745 0.728131
H 5.666149 -1.134300 -1.081939
H -4.401555 -0.888624 -1.060759
H -4.343491 -0.904259 0.721653
H -5.791850 1.167105 0.791074
H -5.810608 1.205749 -1.018526
H 9.097843 1.373200 1.337112
H 9.177750 1.742825 -0.437699
H -8.930924 -1.724301 1.303555
H -8.967048 -2.054716 -0.480375
H 11.244696 -0.010813 1.134197
H 11.300192 0.323099 -0.628278
H 11.558065 1.647027 0.545170
H -11.210076 -0.568233 1.125315
H -11.227768 -0.862270 -0.645281
H -11.346209 -2.234601 0.494211


