%chk=000289349.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289349

0 1
S -1.262401 1.450254 1.289945
O -2.170787 1.519143 -0.154198
O -2.124097 0.770972 2.230571
O -0.829153 2.800124 1.500580
O 3.236970 1.921879 -1.235875
O 4.230046 0.007574 -1.330758
N 3.292510 0.730369 -0.990401
N 3.152758 -2.132228 -0.287043
N -2.541078 -2.319270 -0.226838
C 0.038077 0.448860 0.825814
C 1.123133 0.958817 0.135695
C 2.193510 0.124540 -0.259820
C 0.000079 -0.934074 1.157134
C 2.156126 -1.272633 0.065758
C 1.023458 -1.771643 0.792171
C -3.514697 1.033989 -0.162152
C -3.580872 -0.124628 -1.171808
C -3.012057 -1.349635 -0.644556
H 1.180536 2.033316 -0.119903
H -0.863090 -1.329218 1.716356
H 0.973833 -2.832031 1.041898
H -3.850242 0.729251 0.851159
H -4.120982 1.893339 -0.514328
H -3.026606 0.176102 -2.098076
H -4.636612 -0.293246 -1.488905
H 3.107087 -3.113102 -0.058390
H 3.978351 -1.811821 -0.805831


%chk=000289349-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000289349

0 1
S -1.223482 1.521612 1.040105
O -2.279074 1.240037 -0.531993
O -2.093482 0.909025 2.268433
O -0.716449 3.053052 1.056148
O 3.728128 2.076405 -0.686406
O 4.735462 0.043019 -0.876726
N 3.701066 0.792790 -0.583287
N 3.405496 -2.143220 -0.268268
N -2.977551 -2.377077 0.013614
C 0.198653 0.402910 0.621433
C 1.379558 0.988436 0.177355
C 2.473649 0.142587 -0.122922
C 0.034523 -0.996679 0.774008
C 2.372364 -1.292736 0.014675
C 1.116627 -1.821574 0.475657
C -3.710800 1.070465 -0.249766
C -4.196999 -0.218381 -0.959842
C -3.541513 -1.424497 -0.430128
H 1.488227 2.071933 0.065842
H -0.913461 -1.423575 1.114551
H 1.010482 -2.906119 0.582965
H -3.879583 0.995498 0.843994
H -4.254873 1.945165 -0.649851
H -3.987120 -0.143803 -2.042498
H -5.293695 -0.308703 -0.836857
H 3.288756 -3.148391 -0.156740
H 4.288893 -1.733180 -0.595297


