%chk=000088649.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088649

1 1
 S    2.026000       1.825100      8.0200002E-02
 O   -2.935100      -1.384700     -3.7700001E-02
 O    2.700300       1.655400      -1.396300    
 O    1.573900       3.200600      0.1921000    
 O    2.924600       1.248400       1.063300    
 N   -3.026400       1.367600      3.5999999E-03
 N   -3.985100       1.888100     -2.2000000E-03
 C   0.6711000     -0.6033000      2.3399999E-02
 C   0.5997000      0.7992000      4.4199999E-02
 C  -0.5266000      -1.356700     -4.0000002E-03
 C   -1.760200     -0.6856000     -1.0100000E-02
 C  -0.6348000       1.449200      3.8199998E-02
 C   -1.812600      0.7084000      1.1100000E-02
 C    1.904800      -1.274500      2.9400000E-02
 C  -0.4553000      -2.759200     -2.5200000E-02
 C    1.956700      -2.668600      8.7000001E-03
 C   0.7790000      -3.409400     -1.8800000E-02
 H  -0.7132000       2.532600      5.0600000E-02
 H    2.864400     -0.7738000     -1.9999999E-04
 H   -1.340300      -3.387800     -6.4499997E-02
 H    2.916800      -3.176400      1.4000000E-03
 H   0.8210000      -4.494600     -4.1700002E-02
 H   -2.830300      -2.232700      0.4217000    
 H    2.140200       1.946500      -2.153800    


%chk=000088649-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000088649

1 1
S 2.028262 1.974226 0.023200
O -3.059890 -1.351220 0.088666
O 2.446860 1.559008 -1.721511
O 1.458370 3.478034 0.146528
O 3.192658 1.432894 0.998431
N -3.101401 1.282311 0.108952
N -4.145694 1.789165 0.133773
C 0.654655 -0.621532 0.023497
C 0.517735 0.814084 0.032285
C -0.567659 -1.416984 0.041396
C -1.834551 -0.748201 0.069043
C -0.681949 1.482552 0.055302
C -1.876123 0.683060 0.079994
C 1.908286 -1.296479 -0.000521
C -0.479730 -2.847888 0.026256
C 1.959063 -2.698672 -0.013166
C 0.765074 -3.479368 -0.000793
H -0.721512 2.578152 0.060354
H 2.836321 -0.719488 0.001909
H -1.379565 -3.475766 0.034305
H 2.930394 -3.202176 -0.031455
H 0.827284 -4.571043 -0.012206
H -3.048697 -2.341623 0.085814
H 3.230408 2.110752 -2.016652


