%chk=000052934.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052934

0 1
 S   0.7197000       2.203200     -3.5999999E-03
 O    1.678900      -1.211200     -0.4248000    
 O   -3.705700      -1.700600      2.1700000E-02
 O   0.1365000       3.520100      0.2011000    
 O    1.778600       1.732300      0.8757000    
 O    1.457700     -0.8035000       1.830000    
 N    1.250100       2.077200      -1.622000    
 C  -0.5741000       1.023600      1.1200000E-02
 C  -0.3359000     -0.3113000      0.3380000    
 C    3.006500      -1.704000     -0.2150000    
 C   -1.388100      -1.227000      0.3417000    
 C   -1.864500       1.442900     -0.3119000    
 C   0.9980000     -0.7859000      0.6820000    
 C   -2.678700     -0.8076000      1.8600000E-02
 C   -2.916900      0.5274000     -0.3081000    
 C    3.587900      -2.158000      -1.545300    
 C    3.849400     -0.6139000      0.4292000    
 C   -4.999300      -1.203700     -0.3186000    
 H    2.955600      -2.575800      0.4491000    
 H   -1.209200      -2.269300      0.5956000    
 H   -2.074500       2.475200     -0.5775000    
 H   -3.893300      0.9200000     -0.5704000    
 H    3.629700      -1.325700      -2.256600    
 H    2.950400      -2.925500      -1.997300    
 H    4.595100      -2.567500      -1.423400    
 H    3.753300      0.3308000     -0.1155000    
 H    3.617900     -0.4223000       1.477900    
 H    4.908000     -0.8983000      0.4097000    
 H    1.043800       2.859900      -2.254500    
 H    2.160700       1.633200      -1.792500    
 H   -5.346800     -0.4576000      0.4041000    
 H   -5.694100      -2.048200     -0.2651000    
 H   -5.029000     -0.8303000      -1.347900    


%chk=000052934-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052934

0 1
S 0.817711 2.006946 -0.583856
O 1.869234 -0.845888 -0.540795
O -3.989590 -1.596470 0.396423
O 0.134656 3.458102 -0.866436
O 1.905177 1.892566 0.621272
O 0.932222 -2.356624 0.963196
N 1.443124 1.496551 -2.210110
C -0.608256 0.768748 -0.341430
C -0.459024 -0.590505 0.039463
C 3.248480 -1.437458 -0.280505
C -1.636422 -1.332062 0.282404
C -1.868811 1.363533 -0.490860
C 0.825507 -1.347053 0.227650
C -2.917072 -0.747877 0.130799
C -3.037554 0.608046 -0.263992
C 4.082440 -1.078587 -1.512101
C 3.792568 -0.862162 1.033355
C -5.346298 -1.047428 0.273981
H 3.099983 -2.530040 -0.200585
H -1.552592 -2.375813 0.598058
H -1.922418 2.421501 -0.770669
H -4.013938 1.083752 -0.387821
H 4.256128 0.011128 -1.570141
H 3.594911 -1.423370 -2.441298
H 5.068383 -1.571569 -1.442759
H 3.762985 0.240215 1.009379
H 3.198875 -1.211570 1.893615
H 4.836670 -1.196162 1.176257
H 1.943706 2.284911 -2.647368
H 1.971981 0.616571 -2.110931
H -5.501998 -0.208745 0.978872
H -6.013562 -1.881141 0.533863
H -5.549509 -0.713446 -0.761331


