%chk=000080401.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080401

0 1
 S   -1.719600       1.681600      1.1000000E-03
 O   0.4111000      -2.539400     -8.9999998E-04
 O   -1.702300      -2.176700      1.9999999E-04
 C    2.619200      0.1610000      3.9999999E-04
 C    1.439400      0.8842000      6.9999998E-04
 C   0.3507000     -9.3300000E-02  6.0000003E-04
 C    2.416900      -1.205100      3.9999999E-04
 C   0.9650000      -1.462300      9.9999997E-05
 C    3.889300      0.7383000       0.000000    
 C  -0.9659000      0.1211000      8.9999998E-04
 C    1.483700       2.266600     -1.9999999E-04
 C    3.477000      -2.089100       0.000000    
 C   -1.958900     -0.9867000      6.9999998E-04
 C    3.933700       2.145700     -7.9999998E-04
 C   -3.321200     -0.4386000      5.0000002E-04
 C    4.983000     -0.1525000     -3.0000001E-04
 C   -3.337200      0.9549000      6.9999998E-04
 C    2.739500       2.894700     -8.9999998E-04
 C    4.770700      -1.548300     -3.9999999E-04
 C   -4.489000      -1.187100     -6.0000003E-04
 C   -4.546000       1.636000     -9.9999997E-05
 C   -5.705300     -0.5036000     -1.1000000E-03
 C   -5.733800      0.8986000     -8.9999998E-04
 H   0.6128000       2.905000     -5.0000002E-04
 H    3.325100      -3.162400     -3.0000001E-04
 H    4.888200       2.666000     -1.4000000E-03
 H    6.001100      0.2292000     -7.9999998E-04
 H    2.793900       3.980800     -1.5000000E-03
 H    5.629000      -2.215800     -8.9999998E-04
 H   -4.470000      -2.271500     -8.9999998E-04
 H   -4.582400       2.721000     -1.9999999E-04
 H   -6.638300      -1.060400     -1.7000000E-03
 H   -6.689300       1.416300     -1.5000000E-03


%chk=000080401-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080401

0 1
S -1.699112 1.608932 -0.000777
O 0.673270 -2.822480 -0.001573
O -1.993437 -2.372600 0.001672
C 2.705184 0.106795 -0.000344
C 1.422912 0.757260 -0.000463
C 0.373999 -0.294251 -0.000476
C 2.588911 -1.304833 -0.000469
C 1.132011 -1.654235 -0.000840
C 3.958734 0.779797 -0.000159
C -0.998167 -0.099214 -0.000253
C 1.422730 2.163921 -0.000401
C 3.732496 -2.106035 -0.000416
C -2.130342 -1.119494 0.000537
C 3.914701 2.214417 -0.000102
C -3.457521 -0.442029 0.000047
C 5.128916 -0.053017 -0.000069
C -3.412969 0.965853 -0.000614
C 2.673155 2.868247 -0.000224
C 5.009684 -1.454650 -0.000188
C -4.702705 -1.109158 0.000330
C -4.580269 1.747869 -0.001036
C -5.889419 -0.346647 -0.000107
C -5.825404 1.071397 -0.000789
H 0.503109 2.752497 -0.000479
H 3.655212 -3.197818 -0.000546
H 4.844707 2.794367 0.000030
H 6.122485 0.410404 0.000090
H 2.646433 3.963483 -0.000177
H 5.917252 -2.068097 -0.000115
H -4.712661 -2.204507 0.000881
H -4.538861 2.841592 -0.001540
H -6.863387 -0.846297 0.000086
H -6.751547 1.656730 -0.001118


