%chk=000245011.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245011

0 1
O -1.764890 -0.099011 -1.617372
O -6.385099 -1.342360 -0.151118
O -5.542148 -0.171396 1.559168
N -0.471012 0.019288 0.255876
C 0.780374 0.268494 -0.511702
C 1.662403 -0.960149 -0.350164
C 1.454907 1.562289 -0.083648
C -1.684694 -0.183750 -0.402863
C -2.862117 -0.478756 0.510022
C 2.355430 -1.198220 0.845789
C 2.833424 1.724149 -0.296323
C 1.749543 -1.883196 -1.401275
C 0.714276 2.623387 0.455405
C -4.095250 -0.837773 -0.316403
C 3.134208 -2.349709 0.984921
C 3.462908 2.922736 0.046572
C 2.531615 -3.033198 -1.258109
C 1.348800 3.821043 0.800006
C 3.224055 -3.268341 -0.066389
C 2.723369 3.973218 0.599897
C -5.345389 -0.713757 0.497135
H 0.494522 0.395340 -1.603801
H -0.370173 -0.088795 1.259113
H -2.623432 -1.298901 1.218615
H -3.077601 0.409479 1.149748
H 2.296836 -0.478776 1.661600
H 3.419758 0.914167 -0.731620
H 1.204128 -1.710136 -2.329658
H -0.361367 2.530395 0.598887
H -4.006626 -1.859635 -0.750865
H -4.166105 -0.177343 -1.219744
H 3.673282 -2.531256 1.913376
H 4.532793 3.039062 -0.119996
H 2.598815 -3.747507 -2.077530
H 0.766014 4.639033 1.220974
H 3.832003 -4.164519 0.043416
H 3.215479 4.905892 0.868142
H -7.245840 -1.270890 0.342320


%chk=000245011-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245011

0 1
O -1.741377 -0.068482 -1.703251
O -6.222516 -1.921335 -0.060225
O -5.732966 0.048912 1.063553
N -0.488684 0.183376 0.242097
C 0.803499 0.365054 -0.461720
C 1.632062 -0.925360 -0.354639
C 1.526207 1.643465 -0.007868
C -1.673477 -0.049291 -0.434287
C -2.908285 -0.232817 0.457428
C 2.415026 -1.216153 0.791905
C 2.910766 1.812440 -0.271689
C 1.548326 -1.889079 -1.390180
C 0.816189 2.712371 0.593179
C -3.968275 -1.102163 -0.240121
C 3.098497 -2.447296 0.900638
C 3.568477 3.014369 0.068058
C 2.235128 -3.119558 -1.285919
C 1.474474 3.914379 0.940017
C 3.011594 -3.403287 -0.138758
C 2.854421 4.070534 0.680546
C -5.350737 -0.897672 0.338708
H 0.513192 0.492370 -1.523747
H -0.470501 0.101611 1.261214
H -2.630838 -0.657202 1.440364
H -3.347275 0.764164 0.658471
H 2.503002 -0.472825 1.593823
H 3.474571 1.000871 -0.745024
H 0.933129 -1.675209 -2.272518
H -0.258760 2.608246 0.776726
H -3.716482 -2.176307 -0.208567
H -3.991656 -0.829379 -1.314716
H 3.700903 -2.660022 1.791107
H 4.637459 3.126814 -0.145408
H 2.164598 -3.853838 -2.096125
H 0.907982 4.728975 1.405437
H 3.545017 -4.356897 -0.055944
H 3.365548 5.002381 0.946821
H -7.131038 -1.735561 0.303016


