%chk=000065789.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065789

0 1
 S    1.541500       2.335300      0.2965000    
 O   0.1265000       1.717300      0.8282000    
 O   -2.137400       1.032500       1.704000    
 O    1.318900       2.920600      -1.011200    
 O    2.131000       3.097700       1.379700    
 O    5.109400      -2.288400     -0.5260000    
 O    6.004500      0.2893000      -1.044900    
 N   -5.316700      0.6582000     -0.2160000    
 N   -2.182600     -0.9822000      0.5380000    
 C   -4.819200     -0.4391000      -1.053200    
 C   -4.449800      -1.671900     -0.1834000    
 C   -3.473400      -1.443400      0.9879000    
 C   -3.548600      6.6000000E-02  -1.758600    
 C   -5.876800     -0.7822000      -2.112300    
 C  -0.2728000      0.4441000      0.3451000    
 C   -3.296000      -2.730200       1.791800    
 C   0.7137000     -0.6104000      0.8253000    
 C   -1.624300      0.2216000      0.9373000    
 C   -6.529200      0.2482000      0.4883000    
 C   -5.571000       1.842900      -1.032200    
 C    2.103300     -0.3558000      0.3012000    
 C    2.584500      0.9336000      4.8099998E-02
 C    2.979100      -1.432600      0.1105000    
 C    3.884800       1.159800     -0.4054000    
 C    4.283600      -1.219700     -0.3434000    
 C    4.734200      7.4199997E-02 -0.6027000    
 C    4.572900      -3.578000     -0.2386000    
 C    7.010000      0.4927000     -5.4000001E-02
 H   -5.360500      -2.152100      0.1970000    
 H   -4.008400      -2.429400     -0.8489000    
 H   -3.898500     -0.6960000       1.666800    
 H   -3.787600      0.6033000      -2.685900    
 H   -2.951100      0.7556000      -1.158900    
 H   -2.906500     -0.7654000      -2.072900    
 H   -5.484000      -1.583900      -2.753100    
 H   -6.804100      -1.184900      -1.694600    
 H   -6.121700      3.1700000E-02  -2.800200    
 H   -1.678700      -1.572600     -0.1172000    
 H  -0.3556000      0.4734000     -0.7483000    
 H   -2.622300      -2.567800       2.640400    
 H   -4.255200      -3.082900       2.184900    
 H   -2.863900      -3.527300       1.176500    
 H   0.7682000     -0.6111000       1.922000    
 H   0.3885000      -1.609400      0.5132000    
 H   -7.393500      6.4499997E-02 -0.1571000    
 H   -6.829400       1.060400       1.163500    
 H   -6.384000     -0.6092000       1.150300    
 H   -5.853400       2.664800     -0.3604000    
 H   -4.692800       2.227000      -1.558200    
 H   -6.402600       1.746300      -1.736700    
 H    2.584500      -2.418300      0.3358000    
 H    4.237600       2.168500     -0.6024000    
 H    4.313300      -3.680800      0.8206000    
 H    3.736100      -3.824900     -0.9010000    
 H    5.363600      -4.307700     -0.4426000    
 H    7.092000     -0.3829000      0.5977000    
 H    7.966700      0.6411000     -0.5622000    
 H    6.787300       1.384500      0.5406000    


%chk=000065789-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000065789

0 1
S 1.686326 -1.807351 -2.652193
O 0.019302 -1.289864 -1.882203
O -1.829701 -2.091920 1.139916
O 1.704248 -3.427003 -2.719140
O 1.880488 -0.941459 -3.998352
O 5.560911 0.011933 1.634882
O 6.392332 -0.438942 -1.052370
N -5.699874 0.071351 0.825040
N -2.438986 -1.623733 -1.081566
C -4.778341 0.734051 -0.171957
C -4.526658 -0.263634 -1.349634
C -3.913106 -1.629261 -0.926621
C -3.425477 1.065071 0.511597
C -5.374860 2.051807 -0.757313
C -0.063028 -1.880978 -0.529617
C -4.509277 -2.807653 -1.731008
C 0.818821 -1.085524 0.447758
C -1.546668 -1.875197 -0.080851
C -7.072842 -0.193060 0.341868
C -5.740902 0.672010 2.175468
C 2.281403 -0.969039 0.034004
C 2.793257 -1.187321 -1.263428
C 3.229211 -0.543094 0.999939
C 4.138750 -0.977565 -1.620835
C 4.594751 -0.351491 0.694286
C 5.060561 -0.548443 -0.648345
C 5.143181 0.153233 3.036249
C 7.143783 0.787959 -0.700109
H -5.479583 -0.449912 -1.879461
H -3.865943 0.235200 -2.086678
H -4.122230 -1.782346 0.147462
H -3.522851 1.916444 1.208449
H -3.032868 0.196792 1.068528
H -2.685256 1.348577 -0.258119
H -4.635842 2.555356 -1.407587
H -6.280071 1.860511 -1.362372
H -5.644851 2.755546 0.052372
H -2.027996 -1.449259 -2.007741
H 0.262911 -2.942599 -0.574474
H -4.049403 -3.763831 -1.425390
H -5.597427 -2.876008 -1.551019
H -4.350458 -2.678359 -2.819044
H 0.397674 -0.064350 0.538302
H 0.737087 -1.551062 1.445948
H -7.698772 0.725600 0.222827
H -7.585480 -0.850589 1.068079
H -7.058217 -0.720084 -0.626481
H -6.376349 0.038287 2.821047
H -4.737078 0.695684 2.626138
H -6.164995 1.707612 2.202527
H 2.870054 -0.376548 2.020780
H 4.499470 -1.128842 -2.642392
H 4.408393 0.972113 3.154356
H 4.719788 -0.793879 3.420013
H 6.064710 0.398130 3.583233
H 7.267039 0.875844 0.390566
H 8.118045 0.665301 -1.195677
H 6.626996 1.680389 -1.100956


