%chk=000080747.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080747

0 1
 S    3.752400      -3.953200      2.6699999E-02
 S   -3.752300       3.953300      2.6699999E-02
 S    5.750300       2.767800     -1.2000000E-02
 S   -5.750400      -2.767800     -1.2000000E-02
 O   0.8123000      -3.661700      2.7000001E-02
 O  -0.8122000       3.661600      2.7600000E-02
 O   -1.331800      -2.316100      2.7300000E-02
 O    1.331600       2.316000      2.6900001E-02
 O    3.510000      -4.595600      -1.455600    
 O   -3.510400       4.595500      -1.455700    
 O    3.124500      -4.823000       1.007100    
 O    5.164400      -3.619000      0.1221000    
 O   -3.124000       4.823100       1.006800    
 O   -5.164300       3.619000      0.1225000    
 O    7.309200       2.342600      0.2041000    
 O   -7.309300      -2.342500      0.2042000    
 O    5.296100       3.488000       1.159800    
 O    5.594100       3.301200      -1.349600    
 O   -5.296100      -3.488000       1.159800    
 O   -5.594200      -3.301100      -1.349700    
 N    3.632600       1.140000      2.6900001E-02
 N   -3.632600      -1.139900      2.6799999E-02
 C    1.451600     -3.4400001E-02  2.7300000E-02
 C   -1.451500      3.4400001E-02  2.7200000E-02
 C   0.7513000      -1.242600      2.7200000E-02
 C  -0.7513000       1.242500      2.7200000E-02
 C  -0.7259000      -1.252400      2.6799999E-02
 C   0.7259000       1.252200      2.7100001E-02
 C    2.851600     -3.8699999E-02  2.7000001E-02
 C   -2.851600      3.8800001E-02  2.7000001E-02
 C    1.451000      -2.455100      2.7200000E-02
 C   -1.450900       2.455100      2.6799999E-02
 C    2.846200      -2.455000      2.7000001E-02
 C   -2.846200       2.455000      2.6900001E-02
 C    3.545000      -1.249400      2.7000001E-02
 C   -3.545000       1.249400      2.7100001E-02
 C    5.064100       1.117300      2.6699999E-02
 C   -5.064100      -1.117300      2.6799999E-02
 H    4.628400      -1.278800      2.5900001E-02
 H   -4.628500       1.278900      2.6100000E-02
 H    3.155400       2.032300      3.3399999E-02
 H   -3.155400      -2.032200      3.3300001E-02
 H    5.464600      0.6076000     -0.8564000    
 H    5.447600      0.6555000      0.9433000    
 H   -5.464700     -0.6075000     -0.8563000    
 H   -5.447500     -0.6556000      0.9435000    
 H  -0.1488000      -3.550700     -2.0000001E-03
 H   0.1490000       3.550600      4.9699999E-02
 H    2.575300      -4.824400      -1.670700    
 H   -3.836500       4.051500      -2.210800    
 H    7.735100       1.887800     -0.5602000    
 H   -7.735100      -1.887700     -0.5602000    


%chk=000080747-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080747

0 1
S 3.681276 -4.170382 0.740831
S -3.732720 4.153742 0.634949
S 5.173105 1.210981 -1.946885
S -5.215830 -1.272957 -1.960875
O 0.671973 -3.700242 0.535276
O -0.722180 3.680113 0.463171
O -1.414292 -2.404644 0.544081
O 1.363514 2.385048 0.515718
O 2.921244 -5.088058 -0.647540
O -2.960985 5.048550 -0.761803
O 3.295636 -4.853776 2.149586
O 5.210687 -3.883745 0.331295
O -3.359277 4.859127 2.035856
O -5.258606 3.861211 0.216367
O 4.536765 2.994856 -1.935593
O -4.576708 -3.055113 -1.920227
O 3.987097 0.254582 -2.522841
O 6.635770 1.172610 -2.642933
O -4.033140 -0.324287 -2.554825
O -6.681328 -1.246750 -2.650933
N 3.620215 1.101807 0.482004
N -3.670651 -1.121932 0.467901
C 1.448793 -0.034528 0.537318
C -1.499578 0.014916 0.522548
C 0.685609 -1.251405 0.548729
C -0.736359 1.231905 0.519857
C -0.774106 -1.246888 0.538373
C 0.723237 1.227315 0.524160
C 2.882962 -0.089290 0.504770
C -2.933450 0.068987 0.475915
C 1.349174 -2.517383 0.565989
C -1.399786 2.497934 0.508636
C 2.769300 -2.519314 0.583018
C -2.820055 2.500210 0.512843
C 3.529730 -1.363065 0.531612
C -3.580170 1.343304 0.474718
C 4.968157 1.229015 0.237174
C -5.017914 -1.252676 0.215647
H 4.619349 -1.466802 0.503266
H -4.669468 1.446611 0.434925
H 3.008753 1.953279 0.446932
H -3.059710 -1.974121 0.452337
H 5.630960 0.392765 0.482666
H 5.376669 2.230431 0.404309
H -5.681219 -0.412515 0.446641
H -5.427835 -2.250248 0.401871
H -0.361114 -3.449646 0.539931
H 0.310940 3.429599 0.482203
H 1.951135 -5.185699 -0.391510
H -1.992266 5.147676 -0.501164
H 4.465512 3.316819 -2.879117
H -4.499814 -3.390622 -2.858576


