%chk=000042653.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042653

0 1
 S    2.610400      -2.367700     -3.9999999E-04
 O   -3.730200       2.410100     -1.8000000E-03
 O   -5.258100      0.8278000      1.1000000E-03
 O    3.121300       2.270200       0.000000    
 N   -2.042200      -1.770700      1.8000000E-03
 N    1.343400     -0.1144000     -1.2000001E-03
 N    3.751000     -7.7999998E-03 -7.9999998E-04
 N   -4.050800       1.190900      9.9999997E-05
 C   -1.044400     -0.8310000     -8.9999998E-04
 C   0.3969000      -1.123200     -6.9999998E-04
 C   -1.636200      0.4128000     -1.4000000E-03
 C   -3.039000      0.2138000      3.0000001E-04
 C   -3.261700      -1.145500      2.0999999E-03
 C   0.8959000      -2.411100     -1.9999999E-04
 C    2.542600     -0.6530000     -1.2000001E-03
 C    3.965400       1.380500     -9.9999997E-05
 C    5.435700       1.718500      3.1999999E-03
 H   -1.114100       1.360900     -2.7999999E-03
 H   -1.909800      -2.772700      3.1000001E-03
 H   -4.171100      -1.731000      3.8000001E-03
 H   0.3684000      -3.354800      1.9999999E-04
 H    4.564400     -0.6180000     -9.9999997E-05
 H    5.903400       1.322100      0.9089000    
 H    5.567300       2.803800     -1.9400001E-02
 H    5.917800       1.284300     -0.8772000    


%chk=000042653-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000042653

0 1
S 2.685907 -2.599390 -0.000944
O -3.546090 2.525264 0.000756
O -5.220918 0.963267 0.001887
O 2.947393 2.210027 -0.005023
N -2.096868 -1.798593 0.000555
N 1.345580 -0.262859 -0.000253
N 3.760289 -0.006329 -0.000796
N -3.967008 1.302582 0.000990
C -1.019762 -0.886675 0.000281
C 0.380335 -1.291822 -0.000133
C -1.560257 0.406055 0.000006
C -2.983541 0.247855 0.000704
C -3.299989 -1.122111 0.001183
C 0.887662 -2.587247 -0.000450
C 2.569660 -0.728820 -0.000629
C 3.910432 1.413422 -0.001066
C 5.378176 1.837761 0.003026
H -0.993751 1.332964 -0.000449
H -2.005931 -2.813155 0.000699
H -4.269824 -1.610593 0.001813
H 0.365338 -3.541400 -0.000486
H 4.624357 -0.552401 -0.000090
H 5.893743 1.484138 0.914967
H 5.425139 2.935240 -0.024124
H 5.916229 1.437621 -0.876024


