%chk=000030348.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030348

0 1
 S   -4.609600      3.6800001E-02 -0.1622000    
 O    2.746300       3.079800       1.014700    
 O    4.591100       2.729200     -0.4943000    
 O   -4.980900     -0.2612000      -1.538200    
 O   -5.407900     -0.4963000      0.9332000    
 N    1.425200      -2.896500     -0.1274000    
 C    1.155800      -1.634600      0.6199000    
 C    2.113400     -0.4803000      0.2861000    
 C    2.861400      -3.143000     -0.2939000    
 C    3.472800      -2.045600      -1.159400    
 C    3.226900     -0.6868000     -0.5665000    
 C  -0.3014000      -1.211900      0.4222000    
 C    1.921800      0.7869000      0.8715000    
 C    4.092900      0.3726000     -0.8832000    
 C   0.8001000      -4.054500      0.5227000    
 C    2.799300       1.801900      0.5492000    
 C    3.851800       1.602000     -0.3091000    
 C   -1.150800      -1.146700       1.518800    
 C  -0.7570000     -0.8988000     -0.8519000    
 C   -2.946800     -0.4453000      6.2700003E-02
 C   -4.586200       1.805200      2.6699999E-02
 C   -2.479300     -0.7619000       1.338300    
 C   -2.085500     -0.5139000      -1.032500    
 C    3.881600       3.663800      0.3440000    
 C   -5.993900       2.367900     -0.1035000    
 C   -3.641100       2.431300     -0.9881000    
 H    1.333800      -1.835600       1.687400    
 H    3.026900      -4.101100     -0.8019000    
 H    3.367000      -3.197600      0.6798000    
 H    3.047200      -2.072800      -2.170200    
 H    4.550800      -2.227700      -1.245700    
 H    1.104200      0.9741000       1.559900    
 H    4.935400      0.2274000      -1.551500    
 H    1.186800      -4.216300       1.535400    
 H   0.9793000      -4.964500     -6.1500002E-02
 H  -0.2874000      -3.942900      0.5806000    
 H  -0.7988000      -1.389200       2.517400    
 H  -9.8700002E-02 -0.9471000      -1.714900    
 H   -4.221500       2.009700       1.040000    
 H   -3.130900     -0.7089000       2.205900    
 H   -2.425600     -0.2704000      -2.035000    
 H    4.573500       4.053000       1.099600    
 H    3.532500       4.497300     -0.2764000    
 H   -6.417200       2.163400      -1.092900    
 H   -5.994800       3.452500      4.6999998E-02
 H   -6.666200       1.928300      0.6407000    
 H   -3.876500       2.129300      -2.013800    
 H   -3.705300       3.524400     -0.9435000    
 H   -2.597500       2.176000     -0.7859000    


%chk=000030348-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000030348

0 1
S -4.658179 0.073412 -0.109158
O 2.775171 3.102800 1.104459
O 4.677061 2.799253 -0.338024
O -5.109434 -0.400590 -1.614472
O -5.478074 -0.403945 1.230708
N 1.522574 -2.920670 -0.162136
C 1.253695 -1.707443 0.653956
C 2.215052 -0.548041 0.313734
C 2.967746 -3.205582 -0.316445
C 3.626627 -2.091806 -1.142020
C 3.341807 -0.729182 -0.531147
C -0.209159 -1.275417 0.474544
C 1.955883 0.723292 0.910919
C 4.224504 0.358986 -0.804916
C 0.763933 -4.093537 0.322314
C 2.832682 1.766290 0.629172
C 3.946338 1.590265 -0.217383
C -1.033929 -1.027658 1.598220
C -0.741354 -1.120083 -0.831141
C -2.850831 -0.442268 0.125539
C -4.656273 2.074291 -0.092734
C -2.374690 -0.607782 1.434874
C -2.075943 -0.704772 -1.018486
C 3.947012 3.790698 0.498752
C -6.118046 2.477314 0.093970
C -3.990937 2.536537 -1.385124
H 1.396646 -1.937361 1.745614
H 3.068225 -4.175014 -0.837406
H 3.482623 -3.303105 0.673389
H 3.227550 -2.136875 -2.174414
H 4.718445 -2.261165 -1.204574
H 1.088998 0.878250 1.558492
H 5.096351 0.223713 -1.451469
H 1.052541 -4.402618 1.358219
H 0.940248 -4.947713 -0.354115
H -0.316963 -3.874473 0.319696
H -0.634187 -1.180684 2.608242
H -0.103059 -1.355130 -1.688750
H -4.048069 2.267049 0.808912
H -3.042434 -0.452647 2.289024
H -2.522722 -0.613773 -2.014485
H 4.614953 4.140264 1.304908
H 3.588359 4.610171 -0.147928
H -6.715153 2.225039 -0.800062
H -6.176279 3.570601 0.252857
H -6.560963 1.971803 0.969460
H -4.517056 2.113639 -2.259730
H -4.047540 3.639706 -1.447465
H -2.926751 2.247362 -1.436094


