%chk=000042650.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042650

0 1
 S    1.122200       1.764800      5.0000002E-04
 S   -2.137800      -2.431000     -9.9999997E-05
 O   -3.918800       1.881600      6.0000003E-04
 O    4.933400      -1.244200      1.4000000E-03
 O    5.488900      0.8840000     -3.9999999E-04
 N   -1.547800      8.5800000E-02  7.9999998E-04
 N   -3.889800     -0.4817000      1.0000000E-03
 N    4.619500     -2.5800001E-02  3.0000001E-04
 C   0.9453000      6.1700001E-02 -3.9999999E-04
 C  -0.3621000     -0.6221000     -1.9999999E-04
 C    2.161800     -0.5844000     -1.2000001E-03
 C    3.253800      0.3307000     -1.0000000E-03
 C   -2.549700     -0.7652000      1.0000000E-03
 C  -0.4790000      -1.995700     -8.9999998E-04
 C    2.830200       1.641600     -1.9999999E-04
 C   -4.482000      0.7922000      7.9999998E-04
 C   -5.988300      0.7078000     -2.0999999E-03
 H    2.282300      -1.660800     -1.5000000E-03
 H   0.2828000      -2.762200     -1.6000000E-03
 H    3.425500       2.544700      6.0000003E-04
 H   -4.501400      -1.294100      3.9999999E-04
 H   -6.327500      0.2005000     -0.9096000    
 H   -6.416700       1.713500      2.4800001E-02
 H   -6.330200      0.1532000      0.8763000    


%chk=000042650-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042650

0 1
S 0.893555 1.643912 0.000689
S -2.230619 -2.726537 0.001108
O -3.679397 1.862201 0.004625
O 5.051354 -1.047598 -0.001438
O 5.438686 1.206002 -0.000966
N -1.511722 -0.138135 0.001123
N -3.917365 -0.486175 0.002217
N 4.649654 0.182405 -0.001662
C 0.943342 -0.180425 0.000102
C -0.323658 -0.899161 0.000541
C 2.248978 -0.646230 -0.000677
C 3.209342 0.422382 -0.000860
C -2.585466 -0.891093 0.001469
C -0.494103 -2.278578 0.000379
C 2.667678 1.701602 -0.000219
C -4.414735 0.851669 0.003016
C -5.941028 0.899620 -0.003112
H 2.542766 -1.696349 -0.001105
H 0.258442 -3.062845 -0.000121
H 3.201615 2.648727 -0.000179
H -4.618625 -1.229861 0.001222
H -6.351390 0.430499 -0.916176
H -6.258463 1.951231 0.024755
H -6.364242 0.377637 0.874569


