%chk=000048937.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048937

0 1
 S   -4.164200      -1.040300       1.091600    
 O    1.493600       1.317600     -0.3958000    
 O   0.8089000     -0.7205000      -1.218100    
 N    4.917300      1.9200001E-02  2.6500000E-02
 C    3.535400      0.3426000      0.3799000    
 C    5.719200     -0.1836000       1.232500    
 C    4.962400      -1.170100     -0.8234000    
 C    2.834600       1.038400     -0.7760000    
 C    5.204800      -1.361800       2.042100    
 C    6.385800      -1.485500      -1.250900    
 C  -0.7773000      0.7620000     -0.2328000    
 C   0.5781000      0.3494000     -0.6764000    
 C   -2.978400      0.1886000      0.5819000    
 C   -1.705200     -0.2004000      0.1654000    
 C   -5.512800     -0.7647000     -9.1700003E-02
 C   -6.659800      -1.734300      0.1705000    
 C   -1.122700       2.113300     -0.2148000    
 C   -3.323600       1.539900      0.6000000    
 C   -2.395800       2.502400      0.2016000    
 C   -7.800300      -1.512200     -0.8122000    
 H    3.500100       1.030800       1.235800    
 H    2.959300     -0.5407000      0.6836000    
 H    6.783200     -0.3063000       1.004100    
 H    5.678300      0.7221000       1.851600    
 H    4.411100     -0.9746000      -1.750000    
 H    4.487900      -2.054100     -0.3828000    
 H    2.856600      0.4716000      -1.712500    
 H    3.317900       2.000100     -0.9842000    
 H    4.161000      -1.260600       2.351700    
 H    5.337700      -2.324700       1.541400    
 H    5.787600      -1.425500       2.969300    
 H    6.901300     -0.5966000      -1.630800    
 H    6.980900      -1.921900     -0.4432000    
 H    6.369900      -2.222500      -2.061800    
 H   -1.432200      -1.253500      0.1532000    
 H   -5.874600      0.2645000     -1.4000000E-03
 H   -5.126200     -0.9012000      -1.107400    
 H   -7.043900      -1.605400       1.189700    
 H   -6.312700      -2.770600      7.8299999E-02
 H  -0.4242000       2.883600     -0.5306000    
 H   -4.306400       1.868200      0.9287000    
 H   -2.665000       3.554500      0.2152000    
 H   -8.199800     -0.4965000     -0.7268000    
 H   -7.465200      -1.664600      -1.843200    
 H   -8.614900      -2.215300     -0.6123000    


%chk=000048937-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048937

0 1
S -4.469372 -1.428205 0.711975
O 1.414720 1.116840 -0.360237
O 0.789337 -1.102789 -0.729508
N 4.972402 -0.145020 -0.066978
C 3.635992 0.276506 0.409279
C 6.098527 0.269677 0.805348
C 5.001517 -1.557357 -0.531109
C 2.804444 0.778576 -0.789323
C 6.183406 -0.425464 2.192516
C 6.208672 -1.875680 -1.431892
C -0.852706 0.496920 0.113381
C 0.495392 0.062520 -0.360456
C -3.174989 -0.120651 0.598820
C -1.884454 -0.476759 0.152975
C -5.848916 -0.656048 -0.358683
C -7.041965 -1.625080 -0.412713
C -1.118675 1.833928 0.504477
C -3.437106 1.212154 1.003944
C -2.413174 2.184790 0.943682
C -8.189789 -1.061252 -1.281462
H 3.745368 1.099701 1.138701
H 3.081096 -0.543374 0.919753
H 7.042434 0.102520 0.254298
H 6.017871 1.364079 0.951307
H 4.072412 -1.734227 -1.104222
H 4.973497 -2.276728 0.324964
H 2.757746 0.013796 -1.583153
H 3.211276 1.720159 -1.187276
H 5.259601 -0.264131 2.778211
H 6.339638 -1.514983 2.094363
H 7.030042 -0.015041 2.773963
H 6.249069 -1.169989 -2.280569
H 7.166334 -1.811755 -0.884099
H 6.123247 -2.902848 -1.831566
H -1.661950 -1.498137 -0.171308
H -6.141262 0.307353 0.093491
H -5.427067 -0.474986 -1.361878
H -7.408454 -1.817258 0.614273
H -6.707994 -2.598291 -0.821161
H -0.315900 2.574488 0.461782
H -4.429453 1.484223 1.379796
H -2.625283 3.213109 1.255569
H -8.559577 -0.098416 -0.881920
H -7.856942 -0.891270 -2.322282
H -9.041312 -1.764798 -1.309569


