%chk=000063863.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063863

0 1
 I   -5.118800       4.391500      0.3469000    
 S   -1.299700      -4.010300      0.1434000    
 O    1.868400     -7.4999998E-03 -7.1999997E-02
 O   -3.081200      -2.258900     -0.5730000    
 O    3.025900       1.687000      -1.947400    
 N   -1.031100      -1.351500      0.1501000    
 N  -0.9257000      0.9642000      0.6859000    
 N   0.9149000      -2.777500     -0.3650000    
 C  -0.3683000     -0.2037000      0.5913000    
 C   -3.057000      2.9000000E-03 -2.6300000E-02
 C   -2.281400       1.093200      0.3678000    
 C   -2.407200      -1.317900     -0.1603000    
 C    1.072500     -0.2857000       1.053100    
 C  -0.3466000      -2.598900     -5.2000001E-02
 C   -4.417900      0.1609000     -0.3141000    
 C   -2.885100       2.351700      0.4723000    
 C   -5.007000       1.419700     -0.2056000    
 C   -4.241300       2.515200      0.1863000    
 C    3.112800      0.5393000      0.1519000    
 C    3.679600       1.383700     -0.7915000    
 C    3.779200      0.2299000       1.328800    
 C    4.940400       1.930800     -0.5530000    
 C   8.1699997E-02  -4.959100     -0.2210000    
 C    1.159800      -4.133300     -0.4614000    
 C    5.039900      0.7769000       1.567400    
 C    5.620400       1.627400      0.6265000    
 C    2.173000       2.829900      -1.929100    
 H    1.307600      -1.260700       1.487100    
 H    1.197400      0.4776000       1.834000    
 H   -5.031600     -0.6798000     -0.6252000    
 H   -2.281500       3.202400      0.7835000    
 H   -6.064900       1.524200     -0.4331000    
 H    3.374400     -0.4469000       2.074400    
 H    5.399400       2.593100      -1.282000    
 H    5.572500      0.5363000       2.482900    
 H   4.1400000E-02  -6.038700     -0.2406000    
 H    2.155500      -4.472300     -0.7137000    
 H    6.602700       2.052100      0.8116000    
 H    1.374000       2.702600      -1.191600    
 H    1.720900       2.936100      -2.919000    
 H    2.748300       3.734400      -1.707800    


%chk=000063863-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063863

0 1
I -6.524077 3.656264 1.553211
S 0.406261 -2.077255 -1.958506
O 1.630078 0.679337 0.117556
O -2.643359 -1.783825 -1.212041
O 3.291951 0.328944 -2.157023
N -1.004195 -0.642136 0.047246
N -1.513554 1.392705 1.244296
N 0.630101 -2.313497 0.686570
C -0.652648 0.470245 0.857500
C -3.301565 0.218244 -0.007785
C -2.856403 1.277036 0.841706
C -2.354985 -0.814776 -0.461301
C 0.780622 0.614341 1.320394
C -0.044996 -1.657864 -0.244011
C -4.661390 0.153575 -0.404284
C -3.780498 2.261418 1.286762
C -5.576852 1.123935 0.035650
C -5.121353 2.172950 0.882209
C 3.025101 0.593189 0.314391
C 3.825396 0.447977 -0.860515
C 3.643783 0.639401 1.585257
C 5.224202 0.317173 -0.727035
C 1.603451 -3.208006 -1.266099
C 1.562692 -3.186987 0.118546
C 5.047108 0.511333 1.700179
C 5.839700 0.340620 0.545038
C 2.413749 1.418509 -2.634280
H 1.078783 -0.251302 1.941632
H 0.840625 1.552046 1.898334
H -4.978601 -0.667643 -1.054716
H -3.412440 3.061746 1.932854
H -6.625559 1.073234 -0.268623
H 3.042725 0.767851 2.490544
H 5.809179 0.192540 -1.643832
H 5.511161 0.544692 2.691468
H 2.229132 -3.809664 -1.921291
H 2.186626 -3.792733 0.775279
H 6.926420 0.236226 0.627696
H 1.506019 1.500036 -2.014245
H 2.152064 1.139820 -3.666281
H 2.961848 2.380602 -2.631947


