%chk=000289213.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289213

0 1
S 1.037809 1.447169 0.000087
O -4.153908 0.515992 -0.000098
O 5.249076 0.826344 -0.000262
N 1.147898 -1.161427 0.000006
N 3.323493 -0.175338 0.000182
N 4.072636 0.983235 0.000100
C -0.240301 -0.822231 -0.000029
C -0.475972 0.569269 0.000017
C -1.320408 -1.724158 -0.000093
C 2.010646 -0.082234 0.000062
C -1.757397 1.104182 0.000002
C -2.819749 0.189645 -0.000061
C 1.607625 -2.564787 -0.000004
C -2.610204 -1.213345 -0.000109
C -4.509346 1.921324 0.000001
H -1.151267 -2.799779 -0.000128
H -1.916630 2.178305 0.000036
H 1.250663 -3.091356 0.901799
H 2.718116 -2.609178 0.000103
H 1.250839 -3.091285 -0.901919
H -3.479290 -1.871876 -0.000157
H -4.140065 2.407397 0.907594
H -5.606897 1.871419 0.000000
H -4.140067 2.407515 -0.907531


%chk=000289213-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000289213

0 1
S 1.094364 1.486137 -0.000016
O -4.198630 0.529053 -0.000029
O 5.220987 1.010684 0.000220
N 1.149279 -1.196135 -0.000036
N 3.346186 -0.268609 -0.000005
N 3.955613 1.040225 0.000027
C -0.228453 -0.863477 -0.000037
C -0.462567 0.533141 -0.000020
C -1.314996 -1.767458 -0.000051
C 2.019351 -0.131539 -0.000014
C -1.764479 1.063302 -0.000016
C -2.850874 0.150589 -0.000028
C 1.628514 -2.591667 -0.000055
C -2.622293 -1.253058 -0.000045
C -4.505776 1.963082 -0.000003
H -1.152108 -2.849028 -0.000064
H -1.921738 2.144629 -0.000007
H 1.266253 -3.116292 0.901499
H 2.727528 -2.572773 -0.000033
H 1.266291 -3.116258 -0.901644
H -3.490161 -1.918082 -0.000054
H -4.105721 2.458537 0.905745
H -5.603544 2.021229 0.000001
H -4.105726 2.458569 -0.905736


