%chk=000117065.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117065

1 1
 S   0.7346000       2.923900      0.3722000    
 O    4.535400      -2.911600       1.017400    
 N    1.591000      0.6959000     -0.3950000    
 C   0.2384000      0.5040000     -0.2251000    
 C    2.487800     -0.3489000     -0.8358000    
 C  -0.4171000       1.647600      0.2043000    
 C    2.017900       1.909900     -0.1246000    
 C    3.072900      -1.147800      0.3235000    
 C  -0.4647000     -0.6891000     -0.4438000    
 C   -1.853200     -0.7118000     -0.2206000    
 C   -2.519900      0.4576000      0.2182000    
 C   -1.800300       1.648200      0.4333000    
 C    3.408700       2.382600     -0.2207000    
 C    4.065500      -2.211000     -0.1269000    
 C   -2.593700      -1.886400     -0.4278000    
 C   -3.906200      0.4124000      0.4348000    
 C   -3.970800      -1.911900     -0.2072000    
 C   -4.626300     -0.7637000      0.2237000    
 H    1.974800      -1.015400      -1.538200    
 H    3.300700      8.8200003E-02  -1.428700    
 H    2.262700      -1.623200      0.8908000    
 H    3.563400     -0.4790000       1.041100    
 H   3.9400000E-02  -1.594000     -0.7711000    
 H   -2.300400       2.552800      0.7700000    
 H    3.741400       2.391700      -1.263600    
 H    3.524100       3.401000      0.1658000    
 H    4.085700       1.744100      0.3540000    
 H    3.602600      -2.928600     -0.8115000    
 H    4.926000      -1.757100     -0.6274000    
 H   -2.102900      -2.797400     -0.7648000    
 H   -4.441900       1.297700      0.7721000    
 H   -4.530000      -2.828100     -0.3719000    
 H   -5.698500     -0.7819000      0.3960000    
 H    3.768500      -3.338700       1.435700    


%chk=000117065-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000117065

1 1
S 0.719660 3.054930 0.397160
O 4.658266 -2.919162 1.083379
N 1.626324 0.738337 -0.432396
C 0.229897 0.497909 -0.246913
C 2.560936 -0.351565 -0.849038
C -0.455293 1.673443 0.208521
C 2.039998 1.993134 -0.144651
C 3.028968 -1.205356 0.352138
C -0.464824 -0.692974 -0.468432
C -1.873197 -0.724625 -0.234553
C -2.562222 0.474275 0.230889
C -1.823064 1.681213 0.449227
C 3.444430 2.487695 -0.263257
C 4.041905 -2.293419 -0.082859
C -2.634972 -1.922987 -0.449942
C -3.977073 0.420461 0.460391
C -4.009073 -1.940053 -0.217743
C -4.684787 -0.760852 0.240957
H 2.037110 -0.962110 -1.604974
H 3.426168 0.111917 -1.351524
H 2.160981 -1.672728 0.854825
H 3.532228 -0.565642 1.101058
H 0.040077 -1.599610 -0.816347
H -2.342544 2.579854 0.795868
H 3.769494 2.518549 -1.321063
H 3.535882 3.507735 0.140021
H 4.150617 1.841680 0.289272
H 3.561489 -3.038882 -0.751658
H 4.884239 -1.834146 -0.630108
H -2.123514 -2.825964 -0.801644
H -4.496047 1.319420 0.809937
H -4.583058 -2.856654 -0.385168
H -5.764276 -0.794268 0.417688
H 4.060875 -3.607558 1.469141


