%chk=000055248.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055248

0 1
 S    1.547400      -1.348100      0.9343000    
 O   -1.816900     -0.8867000     -0.9750000    
 O    2.823900     -0.6101000      0.2853000    
 O   -1.352300      -1.047300       1.283600    
 O    1.159400     -0.6625000       2.210300    
 N   0.3828000      -1.165600     -0.2849000    
 N    5.173100       1.446000      0.5716000    
 C   -5.588800       2.002500      0.1680000    
 C   -5.013200      0.6482000     -7.2899997E-02
 C   -4.926000       2.721400       1.358500    
 C   -5.528000       2.899500      -1.083000    
 C   -3.667700      0.5127000     -0.4151000    
 C   -5.820400     -0.4834000      4.3699998E-02
 C   -3.166000     -0.7505000     -0.6312000    
 C   -5.282400      -1.750300     -0.1817000    
 C   -3.936800      -1.885700     -0.5238000    
 C  -0.9548000      -1.033500      0.1192000    
 C    3.989300     -0.6000000       1.097500    
 C    5.088200      0.1158000      0.3686000    
 C   0.7855000      -1.140200      -1.690200    
 C    5.932500     -0.6089000     -0.4508000    
 C    6.940500      8.3999999E-02  -1.111900    
 C    7.065800       1.457200     -0.9322000    
 C    6.165000       2.085600     -8.7800004E-02
 H   -6.652300       1.895800      0.4224000    
 H   -3.870800       2.943900       1.166500    
 H   -5.434300       3.669300       1.565800    
 H   -4.979800       2.105800       2.263300    
 H   -6.014700       2.412100      -1.935100    
 H   -6.042600       3.849000     -0.8998000    
 H   -4.496800       3.129600      -1.372300    
 H   -3.021000       1.379600     -0.5123000    
 H   -6.870500     -0.3960000      0.3093000    
 H   -5.910800      -2.631500     -9.1100000E-02
 H   -3.517700      -2.871200     -0.7001000    
 H    4.297900      -1.625000       1.340800    
 H    3.788200     -7.5400002E-02   2.040400    
 H    1.063700     -0.1146000      -1.949500    
 H    1.638100      -1.808000      -1.846600    
 H  -2.6500000E-02  -1.464600      -2.345500    
 H    5.824200      -1.679600     -0.5854000    
 H    7.626800     -0.4448000      -1.766500    
 H    7.843900       2.017700      -1.437600    
 H    6.219900       3.155300      8.6000003E-02


%chk=000055248-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000055248

0 1
S 2.142277 3.347092 0.653035
O -0.658597 1.464307 -1.492044
O 2.761892 1.816083 1.584141
O -0.524332 2.191004 0.773652
O 3.440328 3.905252 -0.146568
N 1.159606 2.636336 -0.782285
N 3.070469 -0.337042 -0.681524
C -4.858426 -0.214340 0.829566
C -3.982227 -0.017480 -0.411354
C -4.134453 -1.052049 1.917211
C -5.333264 1.146166 1.407384
C -2.731944 0.648341 -0.299255
C -4.406462 -0.485498 -1.678497
C -1.943699 0.829325 -1.454177
C -3.600377 -0.295002 -2.825635
C -2.360584 0.365286 -2.722230
C -0.055693 2.094574 -0.389451
C 3.982827 1.200751 1.004606
C 3.662404 -0.206147 0.548713
C 1.803843 2.496150 -2.090174
C 3.937078 -1.321893 1.377759
C 3.591706 -2.616195 0.928964
C 2.977003 -2.756510 -0.335146
C 2.736250 -1.590924 -1.099284
H -5.759321 -0.778588 0.513854
H -3.232735 -0.529476 2.285909
H -4.802749 -1.223161 2.781561
H -3.818727 -2.034309 1.521624
H -5.883399 1.732548 0.649452
H -5.999831 0.986478 2.275336
H -4.473899 1.753284 1.746803
H -2.379277 1.022749 0.663122
H -5.370685 -0.999609 -1.768457
H -3.937870 -0.660293 -3.801735
H -1.716379 0.527240 -3.591291
H 4.735360 1.205927 1.813468
H 4.355269 1.826212 0.166273
H 1.111324 2.834837 -2.878244
H 2.701595 3.143767 -2.089681
H 2.117614 1.452184 -2.255335
H 4.403307 -1.171077 2.356762
H 3.793418 -3.493502 1.552443
H 2.688236 -3.738241 -0.722973
H 2.258123 -1.657058 -2.083498


