%chk=000048768.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048768

0 1
 S    1.096400     -0.5264000     -0.3489000    
 O   -1.042000      -1.525900       1.884300    
 O   -1.164300       1.632600      -1.588300    
 O   -4.476000      -1.514600      -1.159500    
 N   -2.807700      -1.455700      0.4214000    
 N   -2.868400      0.1217000      -1.313600    
 C   -1.298000      0.4747000      0.5380000    
 C   0.2181000      0.6794000      0.6709000    
 C   -2.027800       1.464500       1.463700    
 C   -1.665900     -0.9295000       1.006700    
 C   -1.732500      0.7944000     -0.8888000    
 C    3.789900     -0.8738000     -0.7475000    
 C    5.256900     -0.4906000     -0.4693000    
 C    2.790600     -1.9200001E-02  3.0200001E-02
 C   -1.749300       2.893400       1.055000    
 C   -3.464800     -0.9765000     -0.7056000    
 C    5.489000      0.9771000     -0.8371000    
 C    5.655900     -0.7258000      0.9885000    
 H   0.5406000      0.5604000       1.711600    
 H   0.5398000       1.666300      0.3284000    
 H   -1.716000       1.314400       2.505400    
 H   -3.112100       1.294700       1.441200    
 H    3.652100      -1.933600     -0.4963000    
 H    3.601700     -0.7777000      -1.825100    
 H    5.893500      -1.116100      -1.107300    
 H    2.943200     -0.1244000       1.107700    
 H    2.885600       1.036100     -0.2379000    
 H  -0.6911000       3.161600       1.081300    
 H   -2.165600       3.152200      7.8100003E-02
 H   -2.243900       3.561300       1.771100    
 H   -3.156000      -2.328000      0.8090000    
 H   -3.261500      0.4121000      -2.204500    
 H    6.561500       1.201800     -0.8180000    
 H    5.006300       1.666900     -0.1378000    
 H    5.126500       1.194000      -1.847400    
 H    5.134400     -5.2600000E-02   1.675900    
 H    6.730700     -0.5587000       1.119500    
 H    5.440600      -1.756600       1.288400    


%chk=000048768-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048768

0 1
S 1.117313 0.856041 -1.388387
O 0.358335 -0.430816 1.788725
O -2.414219 1.673101 -1.583302
O -2.967601 -2.791845 -0.434019
N -1.344392 -1.552469 0.702897
N -2.720450 -0.516693 -0.915047
C -1.128853 0.930930 0.379925
C 0.076949 1.776108 -0.090752
C -1.911372 1.655084 1.560422
C -0.614110 -0.387642 0.989344
C -2.105500 0.744401 -0.793564
C 3.642162 -0.359532 -1.216484
C 4.956589 -0.768273 -0.484401
C 2.670940 0.465163 -0.354517
C -2.395708 3.087123 1.256735
C -2.388985 -1.697056 -0.228409
C 5.798909 0.457983 -0.055035
C 4.693255 -1.710673 0.715621
H 0.732721 2.005836 0.763837
H -0.274853 2.702872 -0.565345
H -1.219916 1.664115 2.424616
H -2.775220 1.022311 1.846936
H 3.126942 -1.278952 -1.559731
H 3.903871 0.220244 -2.124613
H 5.552096 -1.336694 -1.230052
H 2.335246 -0.079194 0.541937
H 3.111721 1.431786 -0.057703
H -1.551245 3.780855 1.102592
H -3.033587 3.127291 0.357966
H -2.982773 3.461660 2.114868
H -1.051268 -2.414265 1.174888
H -3.429658 -0.616265 -1.649027
H 6.782942 0.138751 0.335623
H 5.296615 1.032583 0.745787
H 5.976518 1.142297 -0.905894
H 4.148089 -1.193628 1.527115
H 5.645929 -2.080091 1.138559
H 4.092967 -2.588550 0.411288


