%chk=000211703.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211703

0 1
S -3.510556 0.166718 -1.165432
S -1.167006 -0.809340 -2.753394
O -1.547396 -0.003396 2.161527
N -1.223172 -0.402412 -0.099089
C 0.171449 -0.809402 0.053295
C -3.415461 0.400840 0.644793
C 1.210583 0.178219 -0.061676
C -2.003634 0.004533 1.050191
C 2.551420 -0.257871 0.111973
C -1.831160 -0.390386 -1.350190
C 0.446798 -2.132537 0.316383
C -3.712845 1.839897 0.998069
C 0.959019 1.558221 -0.340834
C 2.821849 -1.636769 0.386500
C 1.798673 -2.545302 0.484100
C 3.614126 0.695921 0.007723
C 1.998058 2.450120 -0.436359
C 3.343284 2.014229 -0.258747
H -4.145263 -0.291275 1.138656
H -0.348112 -2.873616 0.396641
H -4.745958 2.117461 0.743607
H -3.588779 2.015907 2.079844
H -3.052454 2.551585 0.481003
H -0.068213 1.891002 -0.482317
H 3.858169 -1.948446 0.515122
H 1.998488 -3.596581 0.690808
H 4.638524 0.351653 0.143526
H 1.812521 3.501679 -0.650935
H 4.146347 2.745648 -0.340087


%chk=000211703-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211703

0 1
S -3.547477 0.243123 -1.277225
S -1.107103 -0.753691 -2.878573
O -1.561519 -0.001353 2.163324
N -1.218871 -0.378377 -0.144011
C 0.165519 -0.793074 0.032099
C -3.425820 0.407252 0.616286
C 1.214424 0.180530 -0.088485
C -1.995709 -0.003708 0.989005
C 2.576666 -0.265211 0.126136
C -1.821332 -0.340192 -1.418576
C 0.430384 -2.123728 0.348898
C -3.767547 1.822646 1.117054
C 0.973655 1.555654 -0.410732
C 2.826457 -1.639892 0.447478
C 1.776247 -2.552545 0.556837
C 3.644013 0.686032 0.013014
C 2.035438 2.456085 -0.514087
C 3.381872 2.020382 -0.300353
H -4.118470 -0.334898 1.050277
H -0.396208 -2.836203 0.433635
H -4.818087 2.073368 0.893116
H -3.619232 1.864170 2.210765
H -3.119294 2.580360 0.645093
H -0.052333 1.895626 -0.585082
H 3.860973 -1.965338 0.608029
H 1.974257 -3.600480 0.803231
H 4.673176 0.345528 0.177276
H 1.841654 3.504756 -0.764064
H 4.203569 2.739478 -0.385665


