%chk=000031848.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031848

0 1
 S  -0.8275000     -0.3044000      -2.459700    
 O  -0.4330000      -3.386200      0.9986000    
 O   -4.232400       1.953200     -0.1419000    
 O   -3.068100      -1.052700       2.338100    
 O    3.092600     -0.6691000      -1.910700    
 O   -3.811600      -2.706600      0.9446000    
 O   -6.530300       2.101400      4.5100000E-02
 N   -1.111200      -1.387000     -5.2200001E-02
 N    2.096500      -1.746200     -0.1130000    
 N    6.336800       2.100900     -0.3275000    
 C  -0.1341000     -0.6425000     -0.8254000    
 C   0.7681000      -1.890400     -0.7072000    
 C  -0.3073000      -2.418900      0.2845000    
 C   -2.391700     -0.9782000      0.1403000    
 C   -2.941000      4.6000001E-03 -0.6124000    
 C   -2.224000      0.6610000      -1.790200    
 C   -4.326100      0.5694000     -0.4065000    
 C    3.162200      -1.137600     -0.7774000    
 C   -3.174800      -1.694700       1.158100    
 C    4.424000      -1.122400      6.3000001E-02
 C    4.939100      0.2652000      0.3402000    
 C   -5.417900       2.610500      6.8300001E-02
 C    4.518400      0.9553000       1.460000    
 C    5.835200      0.8600000     -0.5184000    
 C    5.012100       2.234500       1.690500    
 C   -5.165300       4.063300      0.3361000    
 C    5.911000       2.757600      0.7749000    
 H   0.2396000      0.2405000     -0.2923000    
 H   0.8194000      -2.521400      -1.605000    
 H   -1.856400       1.649000      -1.492200    
 H   -2.924000      0.8003000      -2.620800    
 H    2.258900      -2.101600      0.8262000    
 H   -4.919800      0.4039000      -1.314300    
 H   -4.847700      8.1799999E-02  0.4237000    
 H    5.182300      -1.703100     -0.4780000    
 H    4.279400      -1.652000       1.012500    
 H   -3.578100      -1.497900       3.048000    
 H    3.810900      0.5180000       2.158200    
 H    6.193100      0.3578000      -1.411300    
 H    4.702700       2.804500       2.559000    
 H   -6.118800       4.574100      0.4976000    
 H   -4.554100       4.172700       1.235500    
 H   -4.668200       4.516900     -0.5249000    
 H    6.325300       3.751400      0.9091000    


%chk=000031848-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000031848

0 1
S -1.364784 -0.439979 -2.348557
O 0.302918 -2.353924 1.570276
O -4.816829 1.977143 -0.057259
O -1.286826 -0.301072 3.027113
O 3.000034 -2.072458 -2.385078
O -3.524555 -0.851103 2.727858
O -6.122130 1.212975 -1.841032
N -0.803901 -0.518691 0.375181
N 2.305345 -0.779408 -0.579249
N 5.416800 2.155620 1.152757
C -0.186777 -0.108148 -0.908302
C 0.924993 -1.192907 -0.679124
C 0.167336 -1.533649 0.651611
C -2.124367 -0.256432 0.796985
C -3.067226 0.238073 -0.082560
C -2.771699 0.546603 -1.541694
C -4.485637 0.560910 0.328924
C 3.276909 -1.280235 -1.440172
C -2.417774 -0.516988 2.241035
C 4.723639 -0.797455 -1.198000
C 4.984449 -0.017311 0.075690
C -5.700530 2.156932 -1.135184
C 5.040657 -0.653389 1.344890
C 5.182874 1.388823 0.047231
C 5.282400 0.120386 2.500445
C -6.057419 3.618050 -1.281930
C 5.462240 1.516776 2.359426
H 0.144244 0.941838 -0.929719
H 0.870666 -2.017743 -1.413131
H -2.538966 1.619981 -1.663993
H -3.664055 0.331101 -2.154772
H 2.595549 -0.172525 0.191513
H -5.198704 -0.107066 -0.191493
H -4.647491 0.505868 1.412231
H 4.998625 -0.195913 -2.084883
H 5.349957 -1.707179 -1.243015
H -1.482074 -0.566570 3.965870
H 4.900344 -1.737982 1.423297
H 5.160477 1.929384 -0.908019
H 5.333419 -0.344071 3.490006
H -6.467133 3.802694 -2.285647
H -6.824614 3.884060 -0.532102
H -5.178971 4.256796 -1.097476
H 5.652787 2.153087 3.230853


