%chk=000080744.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080744

0 1
 S   -5.228300       1.049000      6.8800002E-02
 S    5.228200       1.049100     -6.8099998E-02
 O   -2.537300       2.270800      3.6699999E-02
 O    2.537000       2.271100     -3.5399999E-02
 O  -3.0000001E-04   2.182100     -3.9999999E-04
 O   5.0000002E-04  -3.161000     -1.7000000E-03
 O   -5.359900       1.726300      -1.412100    
 O    5.358200       1.726800       1.412700    
 O   -6.281200      5.1899999E-02  0.1776000    
 O   -5.108500       2.116400       1.047600    
 O    6.281200      5.2000001E-02 -0.1756000    
 O    5.109500       2.116300      -1.047400    
 N   -2.572300      -3.297700      3.5100002E-02
 N    2.573000      -3.297600     -3.0900000E-02
 C   -1.273000      0.2085000      1.6500000E-02
 C    1.273000      0.2086000     -1.7700000E-02
 C   -1.272900      -1.187900      1.6200000E-02
 C    1.272900      -1.187900     -1.7500000E-02
 C    0.000000      0.9578000     -3.9999999E-04
 C   9.9999997E-05  -1.937200     -7.9999998E-04
 C   -2.486300      0.9067000      3.3000000E-02
 C    2.486300      0.9069000     -3.4100000E-02
 C   -2.486300      -1.886200      3.2699998E-02
 C    2.486400      -1.886100     -3.3300001E-02
 C   -3.693200      0.2069000      4.9199998E-02
 C    3.693200      0.2071000     -5.0000001E-02
 C   -3.693300      -1.186400      4.9100000E-02
 C    3.693200      -1.186300     -4.9600001E-02
 H   -4.626300      -1.744200      5.9200000E-02
 H    4.626200      -1.744000     -5.8600001E-02
 H   -1.738600      -3.867400      2.1600001E-02
 H   -3.478100      -3.748200      4.5600001E-02
 H    3.478900      -3.747800     -4.6500001E-02
 H    1.739400      -3.867600     -2.3900000E-02
 H   -3.420800       2.598600     -0.1889000    
 H    1.648700       2.655700     -3.1700000E-02
 H   -5.376600       1.092300      -2.167300    
 H    5.376400       1.092900       2.167800    


%chk=000080744-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000080744

0 1
S -5.264599 1.090455 0.029918
S 5.437416 0.942247 0.049692
O -2.381047 2.313859 0.280084
O 2.631462 2.153886 0.289425
O 0.212048 2.179478 0.254195
O -0.012849 -3.337203 -0.163671
O -5.423454 1.206072 -1.805166
O 5.154271 2.133127 1.406701
O -6.464193 0.189500 0.613002
O -5.011592 2.599509 0.619112
O 6.557686 -0.099169 0.556552
O 5.606734 1.714305 -1.355776
N -2.571882 -3.314620 -0.184916
N 2.579087 -3.446050 -0.135116
C -1.195174 0.194445 0.087281
C 1.337726 0.085735 0.091946
C -1.224869 -1.245666 -0.032469
C 1.312779 -1.341755 -0.018403
C 0.105931 0.881540 0.150702
C 0.026855 -2.027918 -0.076206
C -2.412146 0.954494 0.135970
C 2.577197 0.793613 0.144179
C -2.489852 -1.947044 -0.091731
C 2.553280 -2.077990 -0.050303
C -3.626828 0.201697 0.044416
C 3.776340 0.033326 0.080068
C -3.692417 -1.180732 -0.065165
C 3.791200 -1.347751 -0.002935
H -4.666038 -1.680853 -0.117668
H 4.751203 -1.877351 -0.018921
H -1.672072 -3.824274 -0.208147
H -3.476672 -3.778522 -0.230064
H 3.463222 -3.950637 -0.158715
H 1.660416 -3.918485 -0.177645
H -3.315404 2.697876 0.418576
H 1.582757 2.467995 0.291572
H -6.273556 1.693039 -2.018789
H 4.286135 2.590121 1.145916


