%chk=000079780.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079780

0 1
 S   -1.884100      -1.634900      0.3166000    
 O   -2.251200      -2.538800     -0.7517000    
 O   -1.970000      -2.042000       1.702400    
 O    4.435900      0.8508000       1.431700    
 N   -2.736100     -0.1608000      0.1176000    
 N    3.652900      0.2278000     -0.7031000    
 C   -2.604100      0.4747000      -1.226700    
 C   -2.568300      0.8264000       1.224700    
 C   -3.661600       1.562200      -1.384900    
 C   -3.626100       1.918100       1.101200    
 C   -3.567900       2.595200     -0.2653000    
 C  -0.2363000      -1.079900      1.3200000E-02
 C   0.5335000     -0.6289000       1.072900    
 C   0.2600000      -1.104900      -1.279700    
 C    1.835900     -0.1907000      0.8331000    
 C    1.562300     -0.6668000      -1.519800    
 C    2.350300     -0.2097000     -0.4634000    
 C    4.585900      0.7160000      0.2218000    
 C    5.889100       1.086200     -0.4408000    
 H   -2.750500     -0.2709000      -2.014600    
 H   -1.614100      0.9267000      -1.343400    
 H   -1.571400       1.277200       1.185700    
 H   -2.693000      0.3358000       2.195000    
 H   -4.659800       1.106700      -1.372600    
 H   -3.544200       2.056500      -2.355700    
 H   -3.483700       2.664400       1.890700    
 H   -4.622200       1.481100       1.245100    
 H   -2.629000       3.154600     -0.3587000    
 H   -4.385000       3.319200     -0.3573000    
 H   0.1498000     -0.6035000       2.088300    
 H  -0.3362000      -1.455400      -2.116500    
 H    2.383900      0.1499000       1.700400    
 H    1.950200     -0.6867000      -2.535100    
 H    3.954100      0.1831000      -1.674400    
 H    6.334700      0.1995000     -0.9001000    
 H    6.582300       1.488000      0.3034000    
 H    5.713100       1.846000      -1.207500    


%chk=000079780-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000079780

0 1
S -1.872051 -1.578153 0.177375
O -2.271259 -2.472055 -1.123146
O -2.020861 -2.105831 1.708272
O 4.659206 0.792330 1.460802
N -2.963993 -0.041561 0.077034
N 3.921836 0.147964 -0.674194
C -2.940761 0.572341 -1.275879
C -2.673982 0.916674 1.175655
C -4.091290 1.607900 -1.323827
C -3.815891 1.962110 1.182242
C -3.935036 2.654505 -0.195766
C -0.070305 -1.046853 -0.058911
C 0.675470 -0.651095 1.064222
C 0.468320 -1.078940 -1.357451
C 2.014283 -0.243546 0.889784
C 1.804851 -0.675787 -1.529904
C 2.582400 -0.248018 -0.415736
C 4.880469 0.634328 0.226208
C 6.231456 0.964710 -0.402134
H -3.097211 -0.226337 -2.020656
H -1.970809 1.084883 -1.485923
H -1.696125 1.435803 1.029663
H -2.647856 0.356156 2.125635
H -5.051266 1.070977 -1.209664
H -4.091179 2.094917 -2.317716
H -3.615938 2.702621 1.980027
H -4.762932 1.446828 1.428063
H -3.026208 3.263530 -0.382311
H -4.794473 3.350509 -0.199813
H 0.228951 -0.689284 2.063318
H -0.134789 -1.440249 -2.196556
H 2.624720 0.070019 1.737973
H 2.250063 -0.699369 -2.532504
H 4.221446 0.069154 -1.648532
H 7.011845 0.359607 0.090579
H 6.468547 2.023911 -0.203195
H 6.279450 0.787504 -1.490535


