%chk=000039618.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039618

0 1
 S   -4.372500      -1.456000     -0.5534000    
 O    1.504500       4.029900     -9.6400000E-02
 O  -0.8918000       3.806000     -0.1277000    
 O   -1.783200      -2.743000      -1.208600    
 O    5.158800      -1.928500      0.8551000    
 O    3.206700      -1.377200       1.878000    
 N  -0.3559000      -1.121100     -0.5320000    
 C    1.348600      0.3653000     -0.4015000    
 C  -5.5100001E-02  0.2416000     -0.4125000    
 C    1.885700     -0.9396000     -0.5102000    
 C   0.8355000      -1.819300     -0.5812000    
 C    1.949500       1.640600     -0.2927000    
 C  -0.8907000       1.376100     -0.3269000    
 C    3.321600      -1.292000     -0.5373000    
 C    1.106200       2.732000     -0.2050000    
 C  -0.2577000       2.602800     -0.2223000    
 C   0.9314000      -3.294500     -0.6982000    
 C   -1.638500      -1.711400     -0.5609000    
 C   0.2320000       4.704800     -4.5499999E-02
 C   -2.828700      -1.168700      0.1220000    
 C    3.858500      -1.542000      0.8545000    
 C   -2.892000     -0.4289000       1.277900    
 C   -4.233500     -9.0400003E-02   1.618200    
 C   -5.139400     -0.5863000      0.7065000    
 H    3.027300       1.762700     -0.2779000    
 H   -1.967800       1.326300     -0.4020000    
 H    3.905500     -0.4773000     -0.9806000    
 H    3.496600      -2.185800      -1.145300    
 H   0.2364000      -3.792100     -1.3700000E-02
 H   0.7094000      -3.614100      -1.721400    
 H    1.927700      -3.667700     -0.4435000    
 H   0.1675000       5.262900      0.8956000    
 H   0.1766000       5.413600     -0.8797000    
 H   -2.032600     -0.1557000       1.876900    
 H   -4.519900      0.4828000       2.490200    
 H   -6.215000     -0.4806000      0.7210000    
 H    5.498800      -2.067800       1.764700    


%chk=000039618-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039618

0 1
S -4.538480 -1.437330 -0.561766
O 1.602908 4.070052 0.063682
O -0.779519 3.945848 -0.147227
O -1.913321 -2.530584 -1.743788
O 5.128931 -1.099122 1.127508
O 3.191656 -2.063230 1.971390
N -0.435645 -1.083782 -0.625540
C 1.342842 0.347383 -0.341818
C -0.087955 0.287429 -0.427197
C 1.849313 -1.005851 -0.499534
C 0.767604 -1.858480 -0.690531
C 2.016800 1.592929 -0.175141
C -0.905553 1.447754 -0.411210
C 3.302552 -1.387740 -0.423370
C 1.201197 2.720038 -0.133506
C -0.211515 2.647571 -0.256513
C 0.746432 -3.351070 -0.843551
C -1.740236 -1.627713 -0.873928
C 0.381136 4.872182 -0.192443
C -2.835374 -1.135257 -0.024645
C 3.807153 -1.562165 1.008887
C -2.805081 -0.562992 1.249457
C -4.106423 -0.335590 1.808272
C -5.137829 -0.736292 0.964980
H 3.104177 1.664430 -0.094169
H -1.991262 1.426654 -0.506471
H 3.942880 -0.641799 -0.924603
H 3.483256 -2.349804 -0.940124
H 0.120603 -3.829061 -0.066994
H 0.335048 -3.657327 -1.819938
H 1.767289 -3.751682 -0.735307
H 0.270894 5.623055 0.604266
H 0.446231 5.317818 -1.204026
H -1.872274 -0.323855 1.765016
H -4.274399 0.103767 2.793895
H -6.212202 -0.674211 1.132056
H 5.448667 -1.254572 2.058129


