%chk=000026813.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026813

0 1
 S   -2.575600      -2.102000     -0.5340000    
 O   -1.183100       1.995400      -1.314800    
 O   -3.794700       1.998500       1.318200    
 O   -5.714900       1.538500      0.1793000    
 O    2.051700      -1.837200     -0.3450000    
 N   -2.275000      0.4073000      4.7800001E-02
 N   0.8129000     -8.9999996E-03  0.3681000    
 N    6.711900      0.5813000     -0.6835000    
 C   -1.563600     -0.8442000      0.3258000    
 C   -4.124300      -1.114500     -0.2310000    
 C   -3.664400      0.3536000     -0.3725000    
 C  -0.3740000     -0.2665000     -0.4528000    
 C   -1.260700      0.9756000     -0.6678000    
 C   -5.165700      -1.483500      -1.289400    
 C   -4.645900      -1.474500       1.167700    
 C   -4.525400       1.345400      0.3818000    
 C    1.941800     -0.8306000      0.3504000    
 C    3.021600     -0.3381000       1.293700    
 C    4.318200     -1.5100000E-02  0.5992000    
 C    5.277300      -1.000400      0.4503000    
 C    4.535400       1.263200      0.1179000    
 C    6.452800     -0.6527000     -0.1959000    
 C    5.743800       1.509600     -0.5136000    
 H   -1.418800      -1.011400       1.397600    
 H   -3.684100      0.6713000      -1.424300    
 H  -0.1287000     -0.7633000      -1.398800    
 H   -5.438700      -2.543800      -1.234000    
 H   -6.085000     -0.9036000      -1.151000    
 H   -4.803800      -1.282900      -2.304400    
 H   -4.831600      -2.551200       1.261200    
 H   -3.946000      -1.184900       1.959400    
 H   -5.597800     -0.9732000       1.375900    
 H   0.8213000      0.8022000      0.9819000    
 H   -4.335200       2.646600       1.818300    
 H    2.686300      0.5371000       1.863500    
 H    3.181600      -1.124000       2.043300    
 H    5.128500      -2.009400      0.8179000    
 H    3.796900       2.050200      0.2220000    
 H    7.242200      -1.382400     -0.3433000    
 H    5.971700       2.492500     -0.9126000    


%chk=000026813-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000026813

0 1
S -2.605178 -2.297914 -0.127120
O -0.835043 1.590730 -1.664674
O -4.058469 1.991482 1.140070
O -5.633565 1.689667 -0.540506
O 2.058114 -2.055235 0.132972
N -2.232173 0.348319 -0.108726
N 0.896500 -0.108857 0.648394
N 6.577922 0.839882 -0.986738
C -1.617253 -0.829932 0.556653
C -4.186812 -1.156531 -0.165409
C -3.621973 0.285464 -0.554825
C -0.254844 -0.465187 -0.152388
C -1.060325 0.704680 -0.823063
C -5.148973 -1.676343 -1.246451
C -4.833943 -1.182085 1.236615
C -4.541086 1.382374 -0.015318
C 2.016520 -0.932940 0.716072
C 3.195180 -0.382017 1.532938
C 4.364153 0.044021 0.647158
C 4.961040 -0.859571 -0.268654
C 4.898574 1.353218 0.720850
C 6.049398 -0.420492 -1.054053
C 5.993864 1.701741 -0.103523
H -1.622307 -0.823355 1.656309
H -3.652979 0.386596 -1.656784
H 0.048589 -1.240944 -0.876337
H -5.539077 -2.673103 -0.976086
H -6.007327 -0.985570 -1.341711
H -4.650698 -1.751894 -2.228408
H -5.090717 -2.219932 1.505588
H -4.158182 -0.782308 2.012155
H -5.767341 -0.586601 1.246304
H 0.918282 0.807093 1.100468
H -4.707448 2.687744 1.435197
H 2.881398 0.461378 2.174359
H 3.520351 -1.202726 2.199060
H 4.572369 -1.877271 -0.374422
H 4.478939 2.095436 1.409726
H 6.527560 -1.097414 -1.770940
H 6.425862 2.708299 -0.062252


