%chk=000220696.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220696

0 1
S 3.538797 1.961627 0.000370
O -6.461707 -0.970966 0.000300
N 2.268175 -0.367351 -0.000151
N 0.839310 1.638484 0.000024
N -0.345207 0.942936 0.000020
C 4.510078 0.508589 0.000200
C 3.662445 -0.636259 -0.000071
C 2.029201 0.923850 0.000055
C 5.893208 0.390162 0.000293
C 4.224455 -1.921221 -0.000245
C -2.739453 0.876749 0.000145
C 6.440833 -0.896307 0.000117
C 5.614568 -2.033502 -0.000147
C -3.947042 1.609187 0.000073
C -2.782542 -0.527782 0.000271
C -5.186327 -0.456722 0.000238
C -5.170727 0.955727 0.000115
C -4.003485 -1.205942 0.000322
C -1.466742 1.615328 0.000086
C -6.612074 -2.411860 0.000222
H 6.535611 1.268973 0.000497
H 3.577105 -2.797456 -0.000451
H 7.522442 -1.020819 0.000187
H 6.071838 -3.023547 -0.000280
H -3.923047 2.699233 -0.000024
H -1.847468 -1.098828 0.000322
H -6.112056 1.500426 0.000056
H -4.016185 -2.290843 0.000428
H 0.878056 2.663983 0.000208
H -1.559742 2.711965 0.000203
H -6.174385 -2.839420 -0.906415
H -7.704415 -2.522535 0.000076
H -6.174619 -2.839460 0.906954


%chk=000220696-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000220696

0 1
S 3.593144 2.074216 0.000163
O -6.595517 -0.934974 0.000218
N 2.340749 -0.346623 0.000055
N 0.856569 1.567473 0.000146
N -0.316302 0.833047 0.000161
C 4.583229 0.548095 0.000087
C 3.726110 -0.605129 0.000041
C 2.089504 0.940705 0.000115
C 5.984299 0.429498 0.000073
C 4.305875 -1.895412 -0.000019
C -2.743756 0.839123 0.000188
C 6.543946 -0.870590 0.000012
C 5.710695 -2.019627 -0.000033
C -3.941179 1.612618 0.000188
C -2.852786 -0.579395 0.000199
C -5.293046 -0.419333 0.000204
C -5.201712 0.995901 0.000195
C -4.110452 -1.209124 0.000207
C -1.446897 1.515519 0.000179
C -6.753678 -2.392874 0.000141
H 6.631886 1.311870 0.000107
H 3.649563 -2.770573 -0.000054
H 7.633191 -0.985108 0.000001
H 6.164718 -3.016447 -0.000080
H -3.879234 2.708190 0.000180
H -1.933399 -1.173770 0.000202
H -6.126572 1.580582 0.000194
H -4.162105 -2.302047 0.000222
H 0.835700 2.597947 0.000160
H -1.464192 2.626219 0.000179
H -6.304577 -2.845778 -0.905056
H -7.840239 -2.561934 0.000098
H -6.304636 -2.845866 0.905324


