%chk=000049278.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049278

0 1
 S    2.701500     -0.3921000      0.2462000    
 O   0.1669000     -6.7299999E-02   2.048300    
 O   -1.412600      -1.131000      -2.172900    
 O   -1.804900       3.164900     -0.6443000    
 N  -0.6447000       1.642500      0.6926000    
 N   -1.535500       1.028800      -1.409900    
 C   1.8500000E-02 -0.5048000     -0.3208000    
 C   4.1499998E-02  -1.993500      6.0199998E-02
 C   -1.265000      -2.466000      0.7053000    
 C    1.372200     -0.1265000     -0.9481000    
 C  -0.1561000      0.3484000      0.9343000    
 C   -1.052200     -0.2687000      -1.373100    
 C   -1.615300      -1.680800       1.970000    
 C   -2.402700      -2.343500     -0.3112000    
 C   -1.341200       2.035400     -0.4667000    
 C  -0.5650000       2.611200       1.779400    
 C    4.096500      0.1312000     -0.7795000    
 C    5.398000      1.1700000E-02 -9.8000001E-03
 H   0.2478000      -2.612500     -0.8242000    
 H   0.8349000      -2.230200      0.7783000    
 H   -1.151300      -3.524500      0.9719000    
 H    1.384400      0.9261000      -1.254100    
 H    1.563700     -0.7307000      -1.842700    
 H  -0.8553000      -1.773500       2.750500    
 H   -2.471200      -2.206600       2.423400    
 H   -2.031800     -0.6834000       1.817300    
 H   -3.241900      -2.922600      0.1071000    
 H   -2.201000      -2.877400      -1.243800    
 H   -2.853500      -1.353900     -0.4070000    
 H   -2.149000       1.258000      -2.187000    
 H   0.2541000       2.369200       2.462300    
 H   -1.510900       2.584500       2.329300    
 H  -0.4171000       3.619400       1.381300    
 H    4.141500     -0.4953000      -1.675800    
 H    3.947800       1.170400      -1.089400    
 H    5.396800      0.6454000      0.8837000    
 H    5.590900      -1.022000      0.2967000    
 H    6.234600      0.3310000     -0.6403000    


%chk=000049278-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049278

0 1
S 3.124779 0.495995 0.166450
O 0.506886 0.901257 2.001854
O -0.571770 -0.382281 -2.565086
O -3.163500 2.688080 -0.264244
N -1.290139 1.832998 0.864432
N -1.835194 1.117658 -1.345429
C 0.213861 0.133035 -0.295813
C 0.442303 -1.370657 0.080241
C -0.738293 -2.231953 0.621262
C 1.569295 0.746251 -0.862520
C -0.173014 0.954037 0.944960
C -0.750909 0.241574 -1.485032
C -1.316338 -1.749897 1.974692
C -1.877748 -2.471083 -0.400409
C -2.159091 1.930869 -0.241177
C -1.614478 2.666365 2.048767
C 3.987540 -0.854223 -0.866581
C 5.340523 -1.176021 -0.216880
H 0.828905 -1.856830 -0.836903
H 1.253204 -1.362131 0.833215
H -0.266713 -3.220607 0.810836
H 1.453608 1.835907 -0.995227
H 1.749202 0.288523 -1.849914
H -0.520018 -1.537512 2.709088
H -1.986421 -2.522355 2.395704
H -1.920026 -0.829575 1.856424
H -2.562445 -3.255802 -0.028235
H -1.488255 -2.787279 -1.384341
H -2.485619 -1.559945 -0.555291
H -2.468638 1.205874 -2.147204
H -0.688840 2.817627 2.621649
H -2.354999 2.156803 2.689288
H -2.036354 3.622436 1.707079
H 3.331714 -1.740489 -0.890551
H 4.115868 -0.466902 -1.892094
H 5.989060 -0.282781 -0.178900
H 5.210291 -1.550794 0.813882
H 5.865162 -1.954871 -0.800492


