%chk=000208259.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208259

0 1
S -0.352272 1.049929 -0.480388
O -0.598644 1.063364 -1.899202
O -0.683753 2.203645 0.320254
O -1.423983 -2.578225 0.453460
N -1.232306 -0.303894 0.178901
C 1.265242 0.540752 -0.173203
C 1.591366 -0.816275 -0.318058
C 0.526963 -1.795437 -0.707720
C -0.796013 -1.632356 0.028255
C -2.554317 -0.045842 0.817989
C 2.243026 1.465215 0.203076
C 2.909835 -1.241125 -0.104633
C 3.557086 1.041911 0.417498
C 3.886659 -0.309275 0.258868
C -3.635395 0.140928 -0.212261
C -4.639449 0.999387 -0.054363
H 0.337869 -1.732218 -1.809964
H 0.865474 -2.848444 -0.555266
H -2.821999 -0.913525 1.475657
H -2.452598 0.845771 1.484071
H 1.980558 2.520751 0.337312
H 3.175605 -2.291371 -0.216506
H 4.321791 1.760895 0.708944
H 4.914074 -0.640356 0.424351
H -3.549942 -0.496460 -1.095356
H -5.431076 1.118891 -0.781607
H -4.750802 1.652864 0.799593


%chk=000208259-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000208259

0 1
S -0.409215 1.115875 -0.597443
O -0.645805 1.100752 -2.202961
O -0.810956 2.421307 0.279603
O -1.424044 -2.684931 0.353714
N -1.276635 -0.378731 0.205312
C 1.339068 0.557476 -0.193967
C 1.599657 -0.812397 -0.397055
C 0.503170 -1.753627 -0.870525
C -0.804671 -1.662895 -0.059042
C -2.535828 -0.083219 0.933540
C 2.264167 1.498393 0.274242
C 2.916316 -1.244336 -0.108160
C 3.572821 1.035797 0.548877
C 3.891854 -0.328168 0.351747
C -3.747349 -0.051659 0.022931
C -4.525583 1.043777 -0.152396
H 0.251268 -1.527927 -1.927574
H 0.834176 -2.801615 -0.820084
H -2.636079 -0.884880 1.689289
H -2.406775 0.882893 1.453908
H 1.975229 2.542387 0.430424
H 3.171745 -2.301742 -0.238085
H 4.330748 1.734421 0.916462
H 4.904257 -0.684707 0.568291
H -3.975318 -0.990723 -0.499420
H -5.400308 1.024548 -0.811697
H -4.302913 1.993430 0.349771


