%chk=000040119.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040119

0 1
 S   -1.113500      -1.488700      1.8000000E-03
 O  -0.9793000      -2.177100      -1.267100    
 O  -0.9812000      -2.175000       1.272000    
 O   -1.942800       2.778500     -3.0000001E-04
 N    4.805300      0.8815000     -7.9999998E-04
 N    4.199700      -1.300400     -6.0000003E-04
 N    5.838900      2.7700000E-02 -3.1999999E-03
 N    5.526800      -1.275700     -3.0000000E-03
 C   8.0700003E-02 -0.2147000      1.4000000E-03
 C   -2.698000     -0.7547000     -3.0000001E-04
 C  -0.2965000       1.123200      8.9999998E-04
 C   -2.849600      0.6269000     -6.0000003E-04
 C   -1.708500       1.572300      6.9999998E-04
 C    1.425800     -0.5956000      1.6000000E-03
 C   0.7142000       2.097100      1.1000000E-03
 C    2.417400      0.3809000      1.8000000E-03
 C   -3.802500      -1.611900     -1.1000000E-03
 C   -4.151300       1.151300     -1.7000000E-03
 C    2.062000       1.726900      1.5000000E-03
 C   -5.087700      -1.077800     -2.2000000E-03
 C   -5.262400      0.3033000     -2.4999999E-03
 C    3.802400      2.0999999E-03  6.0000003E-04
 H    1.681200      -1.652800      1.7000000E-03
 H   0.4760000       3.158100      1.0000000E-03
 H   -3.674700      -2.690900     -6.9999998E-04
 H   -4.328600       2.224100     -2.0000001E-03
 H    2.807000       2.519000      1.4000000E-03
 H   -5.951400      -1.736000     -2.9000000E-03
 H   -6.264000      0.7236000     -3.4000000E-03
 H    6.800900      0.3492000     -4.6000001E-03


%chk=000040119-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040119

0 1
S -1.122044 -1.656454 0.000822
O -0.965975 -2.486882 -1.399330
O -0.966932 -2.483742 1.402933
O -1.971552 2.861042 0.002451
N 4.903293 0.923424 -0.000190
N 4.314141 -1.303800 -0.000281
N 5.978566 0.085774 -0.000485
N 5.663510 -1.271354 -0.000351
C 0.108442 -0.215487 -0.000225
C -2.789995 -0.761410 -0.000625
C -0.316170 1.133611 -0.000375
C -2.889584 0.648943 -0.000727
C -1.738702 1.611663 -0.001188
C 1.454067 -0.605721 -0.000290
C 0.708865 2.123209 -0.000232
C 2.450826 0.401978 -0.000269
C -3.904775 -1.616424 -0.001009
C -4.203857 1.197788 -0.000897
C 2.064901 1.771002 -0.000165
C -5.194294 -1.041354 -0.001284
C -5.338783 0.367912 -0.001165
C 3.864793 0.024007 -0.000314
H 1.743694 -1.661422 -0.000307
H 0.391689 3.170455 -0.000365
H -3.771889 -2.702654 -0.001035
H -4.290876 2.288793 -0.001009
H 2.838451 2.544457 -0.000120
H -6.077154 -1.688415 -0.001535
H -6.338102 0.814170 -0.001361
H 6.941744 0.421289 -0.000572


