%chk=000284679.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000284679

0 1
S -2.050217 -1.522509 1.193169
S -1.392063 -0.202891 2.701424
O -2.508970 -2.714291 1.847031
O -0.913642 -1.583894 0.297435
O -0.287088 1.548940 0.653161
O 5.435466 -1.364751 -2.495339
O 6.296560 0.472154 -1.744924
N 5.389458 -0.339039 -1.837169
C -3.360037 -0.665566 0.522178
C 0.367836 -0.030628 2.327027
C -5.539563 0.721177 -0.577184
C -3.151963 0.529399 -0.181318
C -4.664385 -1.162772 0.675650
C 1.809237 0.474108 0.306884
C -4.233486 1.217297 -0.729582
C -5.746500 -0.478706 0.130789
C 0.530723 0.755769 1.049068
C 1.902448 -0.696162 -0.456382
C 2.871453 1.384849 0.370129
C -6.695303 1.449279 -1.172966
C 4.139028 -0.055966 -1.091077
C 3.074734 -0.966438 -1.164344
C 4.048611 1.120128 -0.331251
H 0.844697 0.503917 3.178183
H 0.865353 -1.023294 2.274915
H -2.137654 0.938166 -0.302521
H -4.832558 -2.096772 1.227154
H -4.061135 2.145287 -1.274017
H -6.754713 -0.871695 0.252542
H 1.048654 -1.392838 -0.502494
H 2.779945 2.301794 0.954011
H -7.627696 1.297647 -0.610555
H -6.528565 2.534978 -1.226718
H -6.883403 1.104398 -2.202900
H 3.169282 -1.874564 -1.770765
H 4.894255 1.815888 -0.298345


%chk=000284679-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000284679

0 1
S -2.083048 -1.651383 1.286030
S -1.308656 -0.292988 3.207232
O -2.718353 -3.081592 1.731470
O -0.762990 -1.633856 0.309454
O -0.122538 1.620268 1.020900
O 5.673831 -1.469043 -2.249559
O 5.852269 0.783508 -2.561387
N 5.276341 -0.256448 -2.058947
C -3.465774 -0.611590 0.536463
C 0.429165 -0.234678 2.525955
C -5.525428 0.860063 -0.638977
C -3.196861 0.718685 0.179276
C -4.706530 -1.244003 0.357459
C 1.833624 0.358512 0.422721
C -4.250383 1.447411 -0.415081
C -5.737344 -0.486207 -0.240069
C 0.624236 0.636301 1.275712
C 2.297666 -0.959262 0.164708
C 2.495993 1.469185 -0.168401
C -6.633244 1.651886 -1.307101
C 4.077984 -0.042244 -1.203278
C 3.423569 -1.165706 -0.654620
C 3.629352 1.278061 -0.977709
H 1.027227 0.217867 3.345266
H 0.800903 -1.259878 2.381933
H -2.223042 1.183422 0.371559
H -4.857721 -2.280837 0.673450
H -4.075924 2.490399 -0.702084
H -6.717979 -0.949853 -0.395196
H 1.746477 -1.820697 0.551058
H 2.105792 2.474486 0.017671
H -7.631158 1.296662 -0.997950
H -6.562142 2.727904 -1.072528
H -6.574540 1.551787 -2.408274
H 3.793524 -2.168489 -0.882456
H 4.164505 2.114743 -1.433804


