%chk=000107816.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000107816

0 1
 S   0.1952000      0.2509000     -5.6299999E-02
 O   -2.854600       1.842400      -1.584900    
 O   -2.347400       2.995800      0.3000000    
 O   -4.095300      -1.773100       1.145600    
 N   -2.972100     -0.4836000     -0.4347000    
 C   -2.554700      0.5839000      0.4395000    
 C   -1.209400      0.2854000       1.106200    
 C    1.509000     -6.7699999E-02   1.141500    
 C    2.861200     -0.1593000      0.4897000    
 C   -2.564800       1.930700     -0.2647000    
 C   -3.710000      -1.575200     -3.7000000E-03
 C    3.629800      0.9879000      0.3418000    
 C    3.324700      -1.390100      4.3299999E-02
 C    4.883800      0.9028000     -0.2631000    
 C    4.578800      -1.475200     -0.5614000    
 C    5.358500     -0.3288000     -0.7144000    
 C   -4.032500      -2.527000      -1.124400    
 H   -3.316200      0.6597000       1.226700    
 H   -1.253900     -0.6811000       1.620100    
 H  -0.9998000       1.057200       1.855100    
 H    1.293800      -1.000300       1.676100    
 H    1.516200      0.7305000       1.893100    
 H   -2.697500     -0.4322000      -1.411700    
 H    3.270100       1.952500      0.6887000    
 H    2.725600      -2.289400      0.1564000    
 H    5.490700       1.795500     -0.3828000    
 H    4.948200      -2.434100     -0.9132000    
 H    6.334900     -0.3950000      -1.185400    
 H   -4.448200      -3.451700     -0.7146000    
 H   -4.765700      -2.068100      -1.793400    
 H   -3.126400      -2.769400      -1.687200    
 H   -2.862300       2.722400      -2.018400    


%chk=000107816-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000107816

0 1
S 0.206728 -1.216032 0.797986
O -2.200826 1.841653 -1.052162
O -0.941330 2.177600 0.863076
O -4.955087 -0.677405 0.104166
N -2.696769 -0.754211 -0.430213
C -2.313086 0.122378 0.672355
C -1.357554 -0.570311 1.665929
C 1.512096 0.039520 1.466417
C 2.753230 -0.015627 0.611469
C -1.725800 1.459861 0.200461
C -4.024780 -1.092558 -0.653622
C 2.911001 0.872738 -0.484447
C 3.780907 -0.956584 0.881869
C 4.070566 0.825351 -1.288951
C 4.940500 -1.008396 0.076542
C 5.088745 -0.117058 -1.011520
C -4.283119 -1.983604 -1.860695
H -3.270634 0.360498 1.190105
H -1.858604 -1.440506 2.117196
H -1.040795 0.127452 2.457372
H 1.714912 -0.256160 2.508500
H 1.026201 1.027157 1.439444
H -1.955465 -1.084247 -1.052283
H 2.123143 1.605149 -0.697874
H 3.668651 -1.648540 1.725481
H 4.182897 1.521541 -2.127782
H 5.727113 -1.738323 0.298323
H 5.989382 -0.154236 -1.634644
H -4.910946 -2.836018 -1.552118
H -4.853802 -1.411397 -2.613275
H -3.360071 -2.364762 -2.329797
H -1.837703 2.741377 -1.277807


