%chk=000047307.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047307

0 1
 S   -1.634500       1.044200     -0.1052000    
 S    1.332300       1.197400     -0.1212000    
 O   -5.044300     -0.8732000      7.5599998E-02
 O   -1.699000       1.870100       1.087700    
 O   -1.724400       1.624600      -1.433100    
 O   -4.560000       1.375100     -9.3300000E-02
 N   0.1109000      -1.044100      0.1038000    
 N    1.460500      -1.348900      0.1346000    
 C   -2.789000     -0.2796000      2.8500000E-02
 C  -4.2599998E-02  0.2227000     -2.3399999E-02
 C    2.207000     -0.2707000      2.6200000E-02
 C   -4.210500      0.2063000     -6.0000001E-03
 C    3.648000     -0.2413000      2.2600001E-02
 C    4.369200      -1.398000     -0.2768000    
 C    4.324000      0.9429000      0.3194000    
 C   -6.444000     -0.5745000      5.4499999E-02
 C    5.764100      -1.370300     -0.2797000    
 C    5.718700      0.9705000      0.3166000    
 C    6.438800     -0.1860000      1.6799999E-02
 C   -7.225500      -1.867300      0.1522000    
 H   -2.621000     -0.9548000     -0.8152000    
 H   -2.608800     -0.7865000      0.9806000    
 H    3.865900      -2.332200     -0.5137000    
 H    3.822900       1.869000      0.5846000    
 H   -6.691900      7.2899997E-02  0.9030000    
 H   -6.693500     -6.0699999E-02 -0.8805000    
 H    6.324900      -2.270700     -0.5132000    
 H    6.245100       1.890700      0.5531000    
 H    7.524700     -0.1647000      1.5699999E-02
 H   -8.302100      -1.675500      0.1388000    
 H   -6.974500      -2.533100     -0.6802000    
 H   -6.972800      -2.401700       1.074000    


%chk=000047307-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047307

0 1
S -2.410126 2.381567 1.401232
S 0.117583 1.365232 -0.355797
O -3.371783 -0.395945 0.307052
O -2.089082 3.452801 2.581383
O -2.867760 2.871649 -0.082424
O -5.567710 0.213460 0.834953
N -0.498141 0.424353 2.070341
N 0.662664 -0.278286 1.705330
C -3.688343 1.073849 2.146839
C -0.880943 1.275130 1.139077
C 1.136150 0.069626 0.495855
C -4.337366 0.270445 1.047507
C 2.336724 -0.509640 -0.109501
C 3.056680 -1.507923 0.609486
C 2.801437 -0.102436 -1.390114
C -3.864869 -1.182169 -0.873301
C 4.214527 -2.081589 0.051212
C 3.961670 -0.680998 -1.942292
C 4.671823 -1.672208 -1.224735
C -2.637172 -1.786841 -1.543109
H -3.047564 0.480540 2.818252
H -4.406938 1.710093 2.681924
H 2.693533 -1.812723 1.595537
H 2.261652 0.667104 -1.955356
H -4.569183 -1.946319 -0.499118
H -4.415729 -0.487855 -1.532236
H 4.763088 -2.847161 0.609837
H 4.312370 -0.359635 -2.928396
H 5.573793 -2.120324 -1.655166
H -2.950582 -2.383958 -2.418485
H -1.948768 -0.997830 -1.890333
H -2.093036 -2.449409 -0.848653


