%chk=000058206.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058206

0 1
 S    3.006500      0.6959000       1.307300    
 O    3.966600       1.579300      0.6743000    
 O    3.279900      0.1273000       2.613000    
 O    1.267900       1.457800      -1.718000    
 O   0.2014000     -0.3205000       2.170700    
 O    3.523600       1.438500      -2.176400    
 O   -3.425700      -2.536700     -0.4067000    
 N    1.472400       1.449900       1.330800    
 N  -0.8306000       1.686900       1.670800    
 N   -3.615600       1.479500      0.1305000    
 N   -2.798000     -0.6715000      0.8107000    
 N   -4.238000     -0.4845000      -1.099800    
 C    2.700900     -0.6587000      0.2139000    
 C    2.491600     -0.4445000      -1.139800    
 C    2.677500      -1.937500      0.7507000    
 C    2.253400      -1.534500      -1.977000    
 C    2.439500      -3.027400     -8.6599998E-02
 C   -2.168000       1.298900       2.052900    
 C   0.2541000      0.8359000       1.762500    
 C    2.227300      -2.825900      -1.450400    
 C    2.511200      0.8891000      -1.726200    
 C   -2.912700      0.6573000      0.9181000    
 C   -4.254300      0.8367000     -0.8605000    
 C   -3.489500      -1.175000     -0.2244000    
 C   -5.064700       1.675100      -1.789600    
 C    1.157000       2.773600      -2.271100    
 C   -2.633500      -3.265000      0.5203000    
 H    2.835400      -2.129200       1.807100    
 H    1.410500       2.389200      0.9180000    
 H    2.086300      -1.390800      -3.041500    
 H   -2.690200       2.203000       2.384100    
 H   -2.117800      0.6112000       2.904600    
 H    2.417700      -4.033000      0.3232000    
 H    2.041200      -3.674600      -2.102000    
 H  -0.6850000       2.623700       1.307200    
 H   -6.070100       1.812900      -1.381000    
 H   -5.147900       1.200400      -2.772300    
 H   -4.603100       2.658000      -1.926100    
 H    1.437800       2.762900      -3.328300    
 H    1.785600       3.471800      -1.710400    
 H   0.1147000       3.091400      -2.185400    
 H   -2.680600      -4.323100      0.2458000    
 H   -1.584700      -2.952200      0.4735000    
 H   -3.025100      -3.164000       1.538100    


%chk=000058206-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000058206

0 1
S 2.635326 1.403307 1.136498
O 3.127255 2.802137 0.475502
O 2.663517 1.231741 2.741847
O 2.660443 1.420779 -1.960794
O 0.608524 -0.903525 1.420551
O 4.859647 1.304072 -2.738033
O -6.828348 -1.754792 0.211747
N 0.912085 1.260978 0.561742
N -1.196536 0.257624 0.494278
N -3.728297 0.881781 -0.028387
N -4.518122 -1.353715 0.454613
N -6.086349 0.376545 -0.243776
C 3.585533 -0.102976 0.411913
C 4.155528 -0.101653 -0.880044
C 3.774994 -1.136597 1.340192
C 4.992701 -1.199916 -1.214623
C 4.584745 -2.232573 0.967661
C -2.125322 -0.851572 0.689017
C 0.126792 0.129791 0.865525
C 5.200636 -2.256044 -0.304549
C 3.969852 0.949225 -1.932796
C -3.531819 -0.412355 0.350879
C -5.032937 1.235409 -0.315911
C -5.767174 -0.899460 0.144170
C -5.296425 2.654332 -0.730231
C 2.411932 2.605847 -2.819084
C -6.551251 -3.152346 0.629469
H 3.305744 -1.071145 2.325604
H 0.667030 1.973841 -0.131007
H 5.469086 -1.199204 -2.200159
H -2.097040 -1.219244 1.734053
H -1.856692 -1.723667 0.060973
H 4.737975 -3.054106 1.674326
H 5.843750 -3.095753 -0.587200
H -1.629325 1.142435 0.203815
H -4.959361 3.350537 0.058640
H -6.368980 2.800313 -0.920252
H -4.720571 2.900494 -1.640572
H 3.047923 2.569167 -3.717872
H 2.640597 3.505245 -2.223113
H 1.345501 2.561299 -3.084265
H -7.538678 -3.633366 0.615396
H -5.859407 -3.634684 -0.080293
H -6.109584 -3.170607 1.639147


