%chk=000131304.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131304

1 1
 S   -4.441400     -5.1600002E-02  0.1619000    
 O    1.323700     -0.7090000     -0.2993000    
 O  -0.5461000       2.704800     -3.1399999E-02
 O    1.427800      -2.276400       1.390600    
 O   -5.936400      0.5790000      0.3288000    
 O   -3.814300     -0.1187000       1.469100    
 O   -4.519900      -1.214400     -0.7034000    
 N    3.902100      0.9894000     -0.1804000    
 N   -1.409300      0.5726000     -0.3559000    
 C    2.478700       1.396600     -7.5400002E-02
 C    1.653400      0.3223000      0.6318000    
 C    4.036100     -0.3278000     -0.9567000    
 C    4.723000       2.060200     -0.9120000    
 C    4.515200      0.7871000       1.212200    
 C   0.3593000      0.8562000       1.250900    
 C  -0.5625000       1.504700      0.2275000    
 C    1.243600      -1.971500      0.2202000    
 C   -2.391200      0.9176000      -1.358300    
 C   -3.729300       1.284900     -0.7461000    
 C   0.8884000      -2.937100     -0.8860000    
 C   0.7991000      -4.369000     -0.3881000    
 H    2.454000       2.341000      0.4815000    
 H    2.108700       1.578000      -1.092000    
 H    2.205400     -9.1899998E-02   1.477200    
 H    3.730900      -1.164100     -0.3268000    
 H    5.093100     -0.4624000      -1.209500    
 H    3.444100     -0.2575000      -1.873600    
 H    4.302300       2.184700      -1.914100    
 H    4.647900       2.992100     -0.3440000    
 H    5.764100       1.729500     -0.9714000    
 H    4.247700       1.643200       1.838100    
 H    4.174800     -0.1536000       1.649900    
 H    5.603000      0.7354000       1.097400    
 H   0.5868000       1.608900       2.015200    
 H  -0.1878000      4.9899999E-02   1.754900    
 H   -1.345900     -0.4021000     -7.7200003E-02
 H   -2.013200       1.758000      -1.950500    
 H   -2.486200      5.3399999E-02  -2.023800    
 H   -3.639400       2.136200     -6.3800000E-02
 H   -4.429900       1.546100      -1.545800    
 H  -7.6700002E-02  -2.638400      -1.308800    
 H    1.657000      -2.871100      -1.663300    
 H    1.752700      -4.696800      3.9000001E-02
 H   3.3100002E-02  -4.468200      0.3882000    
 H   0.5423000      -5.043400      -1.210700    
 H   -6.483500      0.5972000     -0.4914000    


%chk=000131304-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000131304

1 1
S -2.173384 2.986603 0.363447
O 1.326340 -2.103443 -0.749989
O -1.182708 -0.290255 -1.664198
O 3.026330 -2.822789 0.682233
O -2.557559 4.685433 -0.215475
O -0.554913 2.771712 0.375879
O -2.969415 2.636729 1.725147
N 2.501170 1.056140 0.286410
N -2.676647 -0.018208 0.084137
C 1.285597 0.332497 -0.349082
C 0.933750 -1.053194 0.236318
C 3.794240 0.262593 0.125315
C 2.632153 2.400628 -0.436105
C 2.234492 1.336320 1.764677
C -0.574859 -1.223761 0.541628
C -1.494251 -0.499379 -0.450960
C 2.363739 -2.993011 -0.367685
C -3.602775 0.805281 -0.709074
C -2.970091 2.122078 -1.180193
C 2.510544 -4.106621 -1.379619
C 3.885711 -4.799466 -1.320988
H 0.456960 1.048653 -0.224914
H 1.489487 0.225648 -1.426576
H 1.496541 -1.268922 1.165410
H 3.706118 -0.707718 0.638210
H 4.621339 0.846631 0.558648
H 3.975944 0.098981 -0.948369
H 2.814018 2.213320 -1.505335
H 1.693650 2.961661 -0.302789
H 3.478902 2.955423 -0.003498
H 1.285347 1.889417 1.847055
H 2.183480 0.387034 2.317445
H 3.063429 1.940752 2.164216
H -0.773019 -0.861407 1.568454
H -0.804583 -2.305024 0.528952
H -2.901794 -0.171148 1.069386
H -3.905614 0.266244 -1.627594
H -4.501985 0.993095 -0.102149
H -2.114464 1.976464 -1.855778
H -3.695987 2.856839 -1.559402
H 1.704588 -4.839659 -1.169829
H 2.287669 -3.702604 -2.383275
H 4.699343 -4.105879 -1.595775
H 4.095225 -5.181522 -0.308207
H 3.909151 -5.648166 -2.024891
H -2.315910 5.349997 0.493481


