%chk=000142838.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000142838

0 1
 S    3.290700     -0.9996000       1.436900    
 O   8.9699998E-02  0.8126000      -2.587300    
 N   -3.946700      0.4658000      0.4542000    
 N    1.058000      0.1124000     -0.5748000    
 C   -3.744900       1.252500     -0.7573000    
 C   -2.460900      0.8149000      -1.464500    
 C   -1.226400      0.9955000     -0.5989000    
 C   -4.055800     -0.9579000      0.1316000    
 C   -5.141600      0.9177000       1.168800    
 C   1.8100001E-02  0.6168000      -1.373800    
 C    1.133500      -1.308600     -0.3232000    
 C    2.083400       1.012100     -0.1002000    
 C    2.067300      -1.899500      0.5377000    
 C    3.126600      0.6204000      0.7511000    
 C   -4.200700      -1.796500       1.390100    
 C   -5.049300       2.394400       1.513900    
 C   0.2509000      -2.179900      -1.005200    
 C    2.037100       2.378500     -0.4648000    
 C    2.075400      -3.296300      0.7319000    
 C    4.100300       1.552800       1.165600    
 C   0.2669000      -3.563400     -0.8111000    
 C    3.004800       3.297300     -4.8700001E-02
 C    1.178200      -4.123500      6.5899998E-02
 C    4.045400       2.881500      0.7620000    
 H   -3.621900       2.317900     -0.5369000    
 H   -4.593200       1.156100      -1.447200    
 H   -2.521500     -0.1967000      -1.879100    
 H   -2.360600       1.457500      -2.351000    
 H   -1.284300      0.3834000      0.3073000    
 H   -1.122900       2.040700     -0.2863000    
 H   -4.891700      -1.161800     -0.5494000    
 H   -3.145200      -1.331500     -0.3443000    
 H   -6.058000      0.7308000      0.5947000    
 H   -5.238000      0.3959000       2.126400    
 H   -3.454500      -1.527200       2.145600    
 H   -5.199000      -1.720700       1.831800    
 H   -4.048800      -2.854200       1.145600    
 H   -4.081500       2.649700       1.959100    
 H   -5.227100       3.039600      0.6481000    
 H   -5.821400       2.646200       2.250200    
 H  -0.4843000      -1.798100      -1.709900    
 H    1.247300       2.765900      -1.104500    
 H    2.792700      -3.759800       1.407600    
 H    4.913700       1.252100       1.824300    
 H  -0.4345000      -4.194800      -1.348300    
 H    2.938300       4.334600     -0.3635000    
 H    1.199800      -5.196800      0.2257000    
 H    4.801900       3.586500       1.091600    


%chk=000142838-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000142838

0 1
S 2.653152 0.202733 2.261124
O 0.131285 2.781338 -1.150189
N -4.229012 -0.005764 0.122829
N 1.026736 0.826579 -0.224196
C -3.945016 1.204324 -0.696278
C -2.491708 1.275671 -1.213428
C -1.460980 1.309910 -0.058609
C -4.448239 -1.214066 -0.718881
C -5.327070 0.212889 1.104604
C -0.062040 1.687552 -0.544384
C 0.854104 -0.530966 0.235934
C 2.392565 1.306282 -0.324208
C 1.555262 -0.976289 1.384828
C 3.273338 1.074659 0.762738
C -4.184661 -2.532150 0.034803
C -4.891451 1.052268 2.320914
C 0.045791 -1.448718 -0.477631
C 2.869061 1.987016 -1.469445
C 1.408515 -2.301165 1.848469
C 4.609282 1.525063 0.719421
C -0.122705 -2.766704 -0.003489
C 4.199319 2.458131 -1.504504
C 0.552780 -3.192926 1.164231
C 5.069560 2.232575 -0.413371
H -4.127793 2.095296 -0.067219
H -4.646756 1.280925 -1.565513
H -2.279195 0.417767 -1.882641
H -2.375899 2.191553 -1.823847
H -1.499291 0.373258 0.515025
H -1.750315 2.126280 0.633703
H -5.481314 -1.224474 -1.153475
H -3.753256 -1.156404 -1.577159
H -6.219939 0.683625 0.618019
H -5.655966 -0.777754 1.467055
H -3.156131 -2.538029 0.435953
H -4.880029 -2.671457 0.881932
H -4.311090 -3.396693 -0.644080
H -4.033010 0.572469 2.822500
H -4.589740 2.076219 2.034920
H -5.722639 1.141069 3.045278
H -0.450313 -1.118799 -1.396222
H 2.189338 2.168928 -2.302995
H 1.965453 -2.631239 2.731446
H 5.279159 1.322000 1.561225
H -0.763300 -3.463223 -0.554706
H 4.554913 2.999750 -2.387272
H 0.431749 -4.218088 1.529238
H 6.102795 2.594079 -0.444943


