%chk=000040268.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040268

0 1
 S   -1.030200     -0.3296000       1.366100    
 O    1.257700     -0.4189000     -0.6652000    
 O    2.782500     -0.1111000       1.062900    
 N    2.747600      -2.084700     -0.1560000    
 N   -2.007700      -2.698800      -1.563900    
 C   -2.765100     -0.1989000      0.7931000    
 C   -2.861600     -0.3524000     -0.7309000    
 C  -0.2798000       1.032300      0.4869000    
 C   -3.596400      -1.264900       1.502700    
 C   0.7654000      0.8277000     -0.4150000    
 C  -0.7585000       2.323100      0.7159000    
 C    1.330500       1.911700      -1.086700    
 C  -0.1935000       3.407100      4.4100001E-02
 C   0.8509000       3.201400     -0.8570000    
 C   -2.383300      -1.664600      -1.195400    
 C    2.317700     -0.8153000      0.1714000    
 C    3.823900      -2.764200      0.5270000    
 H   -3.159600      0.7825000       1.077800    
 H   -3.911200     -0.2384000      -1.030900    
 H   -2.320800      0.4468000      -1.249000    
 H   -3.224600      -2.281600       1.334200    
 H   -3.609200      -1.091400       2.585100    
 H   -4.637100      -1.230300       1.160900    
 H   -1.563200       2.513500       1.421600    
 H    2.143900       1.760100      -1.791200    
 H  -0.5648000       4.411700      0.2246000    
 H    1.291200       4.045500      -1.379800    
 H    2.281200      -2.568100     -0.9173000    
 H    3.426700      -3.688100      0.9545000    
 H    4.249900      -2.142600       1.317900    
 H    4.594100      -3.008300     -0.2086000    


%chk=000040268-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040268

0 1
S -1.426148 0.233184 1.774780
O 0.908866 -0.252394 -0.101202
O 3.290757 -0.040220 -0.044300
N 2.183761 -2.121757 -0.078403
N -0.738423 -3.147727 -0.263218
C -2.801151 -0.319183 0.557089
C -2.223687 -0.985558 -0.720170
C -0.518892 1.483946 0.767540
C -3.749888 -1.236505 1.345843
C 0.625879 1.125487 0.002416
C -0.909129 2.842722 0.824788
C 1.372866 2.112995 -0.683452
C -0.173331 3.833987 0.137504
C 0.968784 3.463074 -0.609038
C -1.426495 -2.193756 -0.459015
C 2.265149 -0.759829 -0.070004
C 3.383318 -2.963992 -0.070398
H -3.319542 0.604375 0.243832
H -3.059595 -1.246888 -1.400317
H -1.574247 -0.269282 -1.256970
H -3.222827 -2.136554 1.709880
H -4.172737 -0.707700 2.217053
H -4.586972 -1.565939 0.702242
H -1.780944 3.113724 1.429414
H 2.262835 1.821061 -1.244356
H -0.482124 4.882890 0.194721
H 1.552322 4.225851 -1.135983
H 1.251982 -2.558292 -0.067131
H 3.416987 -3.593236 0.837678
H 4.270800 -2.312040 -0.082303
H 3.408424 -3.621246 -0.958719


