%chk=000128491.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128491

0 1
 S   -1.782700       3.733400     -5.7100002E-02
 S   -4.575700       2.526300      3.9200000E-02
 S   -6.153400     -7.1000002E-02 -0.1442000    
 O    2.468200       2.197500      0.5427000    
 O    3.499600      -2.436600       1.153900    
 O    5.397200      -3.397100     -0.2281000    
 O   -6.364600      -3.952700      8.2999999E-03
 O   -7.829100      -2.412800     -0.7977000    
 N   -2.448400       1.144200     -0.3229000    
 N   -3.492500      0.2361000     -0.3439000    
 C    2.967400     -0.1257000      0.8646000    
 C    1.876300     -0.2385000       1.880800    
 C    3.216800       1.090500      0.2379000    
 C   0.5337000     -0.6223000       1.246500    
 C    3.740200      -1.241000      0.5418000    
 C    4.758100      -1.133500     -0.4058000    
 C    2.290100       3.155700     -0.4912000    
 C    4.230100       1.204600     -0.7080000    
 C   0.9571000       3.863300     -0.2831000    
 C    5.003000      8.9100003E-02  -1.030600    
 C  -0.5632000     -0.7677000       2.289300    
 C  -0.2021000       2.874700     -0.3045000    
 C    5.577700      -2.284500     -0.7593000    
 C    6.684500      -2.147500      -1.797400    
 C   -2.888400       2.358100     -0.1318000    
 C   -4.655600      0.8253000     -0.1665000    
 C   -5.542500      -1.756900     -0.4088000    
 C   -6.701900      -2.711200     -0.4239000    
 H    2.148500     -0.9716000       2.650900    
 H    1.768600      0.7070000       2.427700    
 H   0.6398000      -1.581700      0.7240000    
 H   0.2351000      9.9600002E-02  0.4839000    
 H    2.270500       2.692700      -1.486500    
 H    3.102600       3.890000     -0.4480000    
 H    4.476000       2.143000      -1.195400    
 H   0.9782000       4.377900      0.6861000    
 H   0.8314000       4.623600      -1.063200    
 H    5.787800      0.2227000      -1.768500    
 H   -1.502100      -1.066700       1.812900    
 H  -0.7336000      0.1799000       2.810100    
 H  -0.3019000      -1.528100       3.032000    
 H  -0.2185000       2.326100      -1.252000    
 H  -8.9800000E-02   2.169800      0.5203000    
 H    4.224800      -3.060700       1.004700    
 H    7.436100      -1.429900      -1.458600    
 H    6.264900      -1.857800      -2.764300    
 H    7.177800      -3.116800      -1.922500    
 H   -5.013600      -1.837900      -1.362800    
 H   -4.871400      -2.023400      0.4138000    
 H   -7.128500      -4.567700     -1.3100000E-02


%chk=000128491-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128491

0 1
S -1.957509 3.866750 -0.075655
S -4.917084 2.901688 0.357507
S -6.782763 0.373038 0.296665
O 2.167834 1.777775 0.116271
O 4.151904 -2.372798 1.382123
O 6.334550 -3.085939 0.357587
O -7.161996 -3.608221 -0.288633
O -8.669791 -1.930129 0.285440
N -2.908148 1.264074 -0.355491
N -4.050860 0.435824 -0.262532
C 3.159758 -0.286710 0.744179
C 1.984032 -0.549952 1.663640
C 3.233609 0.884903 -0.050777
C 0.772540 -1.176840 0.913656
C 4.214954 -1.229121 0.620307
C 5.329128 -1.007414 -0.279504
C 2.114663 2.995577 -0.712250
C 4.315985 1.132293 -0.948470
C 0.829536 3.734251 -0.317007
C 5.343267 0.189157 -1.050533
C -0.440072 -1.390934 1.842967
C -0.411236 2.863333 -0.565492
C 6.391998 -2.011413 -0.366061
C 7.577891 -1.828986 -1.295897
C -3.162990 2.539331 -0.074020
C -5.150807 1.099291 0.085847
C -6.279196 -1.407107 -0.100690
C -7.508811 -2.285062 -0.002201
H 2.302203 -1.238736 2.465745
H 1.656823 0.397995 2.129490
H 1.085996 -2.142499 0.472608
H 0.481773 -0.517352 0.072786
H 2.104853 2.715126 -1.785624
H 3.001663 3.628929 -0.511463
H 4.353438 2.042640 -1.551893
H 0.887935 4.012085 0.751164
H 0.779691 4.671084 -0.905822
H 6.173750 0.377040 -1.738664
H -1.295696 -1.816641 1.288072
H -0.773751 -0.433163 2.285895
H -0.189873 -2.079202 2.672288
H -0.528543 2.581124 -1.624425
H -0.406506 1.953780 0.051362
H 5.005359 -2.927408 1.157895
H 8.139728 -0.908509 -1.053252
H 7.251027 -1.752396 -2.349106
H 8.246563 -2.696348 -1.190352
H -5.843595 -1.445004 -1.111531
H -5.501379 -1.731870 0.608275
H -7.969243 -4.187535 -0.222726


