%chk=000257474.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257474

0 1
S 0.803291 1.484943 0.647008
O 1.052589 2.910401 0.474343
O 1.240759 0.836092 1.859462
O 3.603634 3.440272 -0.575277
O -2.529183 -2.405210 1.570554
O -4.592917 -1.894529 0.870702
N 1.537691 0.724816 -0.708932
C 2.438612 1.541027 -1.565460
C -0.878836 1.173267 0.401420
C 1.629542 -0.705713 -0.819168
C 3.698144 2.040264 -0.827692
C -1.436135 -0.043795 0.798999
C -1.680674 2.158403 -0.188973
C 1.453510 -1.297135 -2.086327
C 1.843474 -1.513199 0.311782
C -2.804643 -0.276671 0.592646
C -3.044553 1.926586 -0.392315
C -3.609863 0.710322 -0.004844
C 1.489496 -2.686518 -2.209152
C 1.867212 -2.902053 0.169651
C 1.692219 -3.493729 -1.084908
C -3.439805 -1.549047 0.991448
H 1.867378 2.426867 -1.939557
H 2.731550 0.957407 -2.465394
H 4.599995 1.965180 -1.465639
H 3.886985 1.501614 0.118497
H -0.821010 -0.822388 1.276128
H -1.239715 3.119873 -0.486086
H 1.280133 -0.676244 -2.962675
H 2.008211 -1.070756 1.301774
H -3.666649 2.696244 -0.851012
H -4.677362 0.514142 -0.159106
H 1.354040 -3.144168 -3.189067
H 2.031634 -3.526898 1.048227
H 1.716469 -4.576312 -1.187101
H 2.796754 3.642192 -0.017325
H -2.945477 -3.267451 1.847869


%chk=000257474-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257474

0 1
S 1.067166 0.924576 1.175979
O 1.528928 2.391168 1.758535
O 1.110685 -0.358706 2.177169
O 1.720980 3.601168 -0.657858
O -3.338081 -2.095694 1.386759
O -5.107007 -1.031636 0.319186
N 2.417030 0.418161 -0.443367
C 2.127363 1.304080 -1.612924
C -0.734821 1.050645 0.558974
C 2.272248 -0.981661 -0.633494
C 2.633583 2.746727 -1.413369
C -1.577836 -0.031545 0.847327
C -1.135771 2.203200 -0.143290
C 1.621458 -1.586959 -1.755703
C 2.848993 -1.819249 0.370738
C -2.924044 0.058390 0.410591
C -2.485171 2.267967 -0.568272
C -3.372075 1.206086 -0.294242
C 1.586664 -2.987604 -1.878926
C 2.789238 -3.220589 0.245839
C 2.163808 -3.810134 -0.878084
C -3.905204 -1.032226 0.676572
H 1.057020 1.321031 -1.915967
H 2.693955 0.865240 -2.460264
H 2.721476 3.222349 -2.406269
H 3.638432 2.711766 -0.945257
H -1.220017 -0.900245 1.407839
H -0.424209 3.010369 -0.360807
H 1.159081 -0.965635 -2.529784
H 3.348103 -1.348425 1.221192
H -2.834535 3.150652 -1.112736
H -4.418409 1.244028 -0.614517
H 1.104223 -3.445184 -2.749665
H 3.235179 -3.852269 1.020973
H 2.127634 -4.900402 -0.978362
H 1.791070 3.379944 0.323226
H -4.030636 -2.791287 1.546762


