%chk=000101893.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101893

0 1
 S    2.835300      0.5624000     -3.0000001E-04
 O   -1.599100       2.994600      6.9999998E-04
 O    3.188300      8.4500000E-02  -1.342600    
 O    3.183800       1.968200      0.2446000    
 O    3.203800     -0.3417000       1.096100    
 N   -3.091800      0.6817000      6.9999998E-04
 N   -4.176800      0.7463000      6.9999998E-04
 C   0.3529000     -0.6922000     -1.9999999E-04
 C   -1.061600     -0.6470000      1.9999999E-04
 C    1.078500      0.5103000     -1.9999999E-04
 C   -1.708900      0.5993000      5.0000002E-04
 C   0.4188000       1.739700      9.9999997E-05
 C  -0.9722000       1.784100      3.9999999E-04
 C    1.000200      -1.938500     -6.0000003E-04
 C   -1.787100      -1.849500      3.0000001E-04
 C   0.2635000      -3.123300     -3.9999999E-04
 C   -1.127500      -3.078800     -9.9999997E-05
 H   0.9618000       2.680100     -9.4999997E-03
 H    2.076800      -2.055700     -3.9400000E-02
 H   -2.874300      -1.858200       0.000000    
 H   0.7754000      -4.081300     -9.3999999E-03
 H   -1.700100      -4.001700     -2.0999999E-03
 H  -0.9310000       3.701200      1.4000000E-03


%chk=000101893-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000101893

0 1
S 2.989618 0.599639 -0.020156
O -1.702857 3.008063 0.032960
O 3.238093 -0.064847 -1.513304
O 3.252805 2.212642 0.119303
O 3.455840 -0.348116 1.239001
N -3.079377 0.736521 -0.022902
N -4.246542 0.833395 -0.041807
C 0.340683 -0.732484 0.015023
C -1.104641 -0.695447 -0.005253
C 1.058670 0.514456 0.030106
C -1.735803 0.622625 -0.003488
C 0.430973 1.764891 0.036965
C -0.968510 1.838726 0.022911
C 1.001958 -2.001306 0.023064
C -1.844894 -1.907658 -0.027015
C 0.254355 -3.184408 0.000431
C -1.167780 -3.138202 -0.026496
H 1.083367 2.652548 0.057397
H 2.094948 -2.022752 0.061670
H -2.940703 -1.894940 -0.044064
H 0.766099 -4.151386 0.005589
H -1.741709 -4.070507 -0.044510
H -1.125893 3.813048 0.045475


