%chk=000089911.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089911

0 1
 S    3.041400       2.042300      0.9967000    
 O  -0.3158000     -0.7335000      -1.615300    
 O    3.247000       1.939700       2.425200    
 O    3.517700       3.189100      0.2542000    
 N    1.378100       1.811200      0.6544000    
 C   -1.314000      0.8671000     -0.1449000    
 C  -0.4793000       1.880300     -0.9726000    
 C  -0.8091000      0.9024000       1.322300    
 C    1.031100       1.724800     -0.7893000    
 C   0.7065000      0.7465000       1.447300    
 C   -2.814900       1.170900     -0.2969000    
 C   -1.080300     -0.5342000     -0.6740000    
 C   -3.400500       1.149700      -1.559800    
 C   -3.578900       1.464900      0.8290000    
 C   -1.791900      -1.677600     -3.6100000E-02
 C    3.713200      0.5918000      0.2483000    
 C   -4.761000       1.424800      -1.697700    
 C   -4.939400       1.739900      0.6909000    
 C   -3.024900      -2.045800     -0.5268000    
 C   -1.190300      -2.324700       1.020400    
 C   -5.530400       1.719900     -0.5724000    
 C    4.102500      0.6332000      -1.080700    
 C    3.840300     -0.5640000       1.001400    
 C   -3.691000      -3.116300      7.0000000E-02
 C   -1.856400      -3.395200       1.617200    
 C    4.633100     -0.5128000      -1.672900    
 C    4.371100      -1.710000      0.4091000    
 C    4.767400      -1.684200     -0.9281000    
 C   -3.106800      -3.790900       1.141900    
 C    5.335400      -2.909600      -1.560900    
 H  -0.7614000       2.899800     -0.6727000    
 H  -0.7017000       1.807100      -2.044700    
 H   -1.302300      0.1631000       1.961800    
 H   -1.050100       1.884200       1.755800    
 H    1.386600      0.7876000      -1.218500    
 H    1.516300       2.544000      -1.331700    
 H   0.9691000      0.8422000       2.505800    
 H    1.030000     -0.2375000       1.101600    
 H   -2.822800      0.9174000      -2.449800    
 H   -3.176200       1.487200       1.834700    
 H   -5.221700       1.407500      -2.681100    
 H   -5.539900       1.967700       1.566800    
 H   -3.478900      -1.559300      -1.382200    
 H  -0.2102000      -2.047100       1.389600    
 H   -6.589900       1.933000     -0.6797000    
 H    4.005900       1.534100      -1.678900    
 H    3.534900     -0.6062000       2.042400    
 H   -4.660500      -3.430100     -0.3056000    
 H   -1.399200      -3.924200       2.448300    
 H    4.939700     -0.4799000      -2.715000    
 H    4.471500      -2.616600       1.000000    
 H   -3.624000      -4.626400       1.604500    
 H    4.910300      -3.816300      -1.117300    
 H    5.110300      -2.941700      -2.632300    
 H    6.421800      -2.930800      -1.430000    


%chk=000089911-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000089911

0 1
S 2.947980 1.985282 1.113678
O -0.665539 -0.535007 -1.954001
O 3.035595 1.903475 2.736658
O 3.476826 3.260504 0.254564
N 1.111610 1.854153 0.717704
C -1.527966 0.945437 -0.194163
C -0.677702 2.027552 -0.942736
C -1.053491 0.915827 1.292571
C 0.848273 1.865500 -0.746181
C 0.472883 0.707530 1.411068
C -3.020400 1.331947 -0.354393
C -1.315701 -0.450920 -0.868985
C -3.624816 1.210060 -1.635184
C -3.797288 1.861772 0.707541
C -1.859875 -1.711242 -0.246638
C 3.821527 0.445912 0.433299
C -4.963659 1.600556 -1.847079
C -5.137423 2.259313 0.495365
C -2.959092 -1.745577 0.655038
C -1.240685 -2.936667 -0.621243
C -5.728001 2.130180 -0.781463
C 4.309443 0.480026 -0.883631
C 3.965017 -0.666190 1.279500
C -3.420440 -2.976029 1.169440
C -1.693674 -4.162641 -0.096124
C 4.961428 -0.672440 -1.374843
C 4.622045 -1.805733 0.765052
C 5.126685 -1.826499 -0.562827
C -2.786379 -4.186200 0.803728
C 5.863747 -3.043794 -1.091017
H -0.985859 3.019281 -0.564264
H -0.890249 1.986456 -2.024972
H -1.568943 0.128874 1.870189
H -1.282147 1.891540 1.757804
H 1.192080 0.935694 -1.247469
H 1.373033 2.732168 -1.182695
H 0.773423 0.732625 2.472405
H 0.770301 -0.275327 0.974588
H -3.044355 0.801643 -2.471346
H -3.367943 1.973836 1.707965
H -5.409493 1.493182 -2.842274
H -5.717771 2.671543 1.328693
H -3.485623 -0.823859 0.917697
H -0.407735 -2.899620 -1.330975
H -6.767005 2.437048 -0.944417
H 4.205842 1.386107 -1.489579
H 3.601132 -0.625346 2.311550
H -4.279101 -2.991300 1.849409
H -1.202122 -5.097466 -0.386939
H 5.351928 -0.672604 -2.399046
H 4.751470 -2.686194 1.405081
H -3.144751 -5.139040 1.209321
H 5.514129 -3.972445 -0.607517
H 5.736124 -3.154486 -2.181827
H 6.950209 -2.959900 -0.894383


