%chk=000068429.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068429

0 1
 S    2.630600      0.1276000      7.9899997E-02
 O   -3.154900       1.334800     -3.8300000E-02
 O    2.988500     -0.4691000      -1.396300    
 O    3.278200       1.422700      0.1902000    
 O    2.863000     -0.9137000       1.063700    
 N   -1.289200       3.389500      3.3000000E-03
 C  -4.1200001E-02 -0.6429000      2.4100000E-02
 C   0.8952000      0.4037000      4.5000002E-02
 C   -1.422300     -0.3355000     -4.4999998E-03
 C   -1.826400       1.009500     -1.1200000E-02
 C   0.4759000       1.734400      3.7999999E-02
 C  -0.8824000       2.036800      1.0300000E-02
 C   0.3631000      -1.987800      3.0600000E-02
 C   -2.358500      -1.382200     -2.5699999E-02
 C  -0.5807000      -3.015000      9.6000005E-03
 C   -1.939000      -2.712700     -1.8600000E-02
 H    1.186900       2.555800      5.0600000E-02
 H    1.397100      -2.307400      1.5000000E-03
 H   -3.429600      -1.205900     -6.5899998E-02
 H  -0.2558000      -4.051500      2.7000001E-03
 H   -2.672700      -3.513400     -4.1700002E-02
 H  -0.5988000       4.128300      2.0400001E-02
 H   -2.274400       3.617300     -1.5300000E-02
 H   -3.671600      0.6639000      0.4351000    
 H    2.795300      0.1314000      -2.154200    


%chk=000068429-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000068429

0 1
S 2.689811 0.235585 0.004616
O -3.228451 1.451042 0.072365
O 2.810395 -0.291307 -1.780373
O 3.397953 1.680518 0.178536
O 3.216946 -1.009042 0.900495
N -1.416492 3.416476 0.089230
C -0.055032 -0.657416 0.027463
C 0.834269 0.461261 0.034558
C -1.475369 -0.332712 0.044308
C -1.883257 1.037982 0.059163
C 0.431439 1.792801 0.046916
C -0.958232 2.108898 0.067424
C 0.347283 -2.032197 0.008203
C -2.422082 -1.413209 0.039966
C -0.604680 -3.052953 0.001219
C -1.999720 -2.741803 0.017446
H 1.183119 2.589944 0.049046
H 1.412781 -2.277183 0.014451
H -3.502290 -1.213396 0.057380
H -0.282503 -4.099001 -0.013170
H -2.737626 -3.550850 0.014870
H -0.771918 4.200408 0.089173
H -2.418665 3.586734 0.100854
H -3.853807 0.687588 0.049082
H 3.762428 -0.559569 -1.939921


