%chk=000248577.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000248577

0 1
O 2.309637 0.471837 1.819374
O 0.569396 -1.957652 -1.516954
O 3.364376 -0.228222 -0.056510
O 0.483532 -2.427791 0.693067
O 0.633847 2.734185 -0.512290
N -1.513169 0.119981 0.513633
N 0.876699 0.593982 -1.315724
C -2.322731 1.362065 0.285198
C -2.226881 -0.834853 1.426035
C -3.663371 0.987010 -0.367055
C -3.569728 -1.239366 0.795747
C -0.147943 0.440681 1.014369
C -4.438941 -0.009448 0.504212
C 0.886733 -0.102786 -0.019632
C 2.341446 0.023292 0.527709
C 0.615039 -1.617666 -0.190116
C 0.717527 1.980594 -1.465668
C 0.693413 2.436024 -2.897775
C 3.595407 0.690099 2.467459
C 0.282163 -3.351086 -1.825566
H -1.744607 2.032453 -0.388965
H -2.503224 1.930471 1.223234
H -2.395860 -0.411923 2.439155
H -1.583834 -1.737212 1.549459
H 0.078272 -0.021264 2.003524
H 0.032712 1.537267 1.146307
H -4.261023 1.900595 -0.537261
H -3.476141 0.541983 -1.364317
H -3.381489 -1.793107 -0.145402
H -4.098730 -1.937329 1.469642
H -5.372487 -0.313955 -0.003226
H -4.746459 0.472502 1.451465
H 0.909459 -0.011340 -2.142037
H 0.586715 3.533083 -2.938231
H 1.621063 2.186499 -3.431935
H -0.146747 2.008274 -3.460864
H 4.061841 1.578577 2.030488
H 3.307991 0.848865 3.512198
H 4.234323 -0.190446 2.344601
H -0.781057 -3.534460 -1.641948
H 0.536104 -3.415383 -2.888698
H 0.906924 -4.010432 -1.212803


%chk=000248577-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000248577

0 1
O 2.387104 0.327583 1.847149
O 0.365522 -1.795861 -1.555975
O 3.296886 0.121422 -0.283280
O 0.563859 -2.318866 0.701832
O 1.483000 2.740656 -0.405323
N -1.582986 0.078221 0.640931
N 0.683379 0.752186 -1.282342
C -2.396747 1.158109 0.027386
C -2.338474 -0.661563 1.684323
C -3.668161 0.578869 -0.625939
C -3.611469 -1.294747 1.085628
C -0.224663 0.498071 1.059065
C -4.495782 -0.223741 0.404488
C 0.824440 0.037940 -0.005648
C 2.306388 0.186858 0.473783
C 0.569186 -1.474575 -0.215976
C 1.061876 2.074757 -1.404086
C 0.956752 2.669662 -2.801853
C 3.762016 0.469875 2.388543
C 0.071876 -3.222945 -1.835061
H -1.780796 1.677177 -0.726974
H -2.694054 1.919097 0.795940
H -2.630409 0.014255 2.530160
H -1.680085 -1.448313 2.093816
H 0.042850 0.021040 2.015053
H -0.124508 1.593123 1.186750
H -4.271667 1.402415 -1.054306
H -3.365823 -0.087299 -1.457774
H -3.307390 -2.054078 0.338217
H -4.173642 -1.816584 1.884017
H -5.370533 -0.695646 -0.082218
H -4.891257 0.469435 1.176046
H 0.429895 0.189520 -2.096868
H 0.481162 3.662393 -2.738944
H 1.974567 2.815939 -3.205430
H 0.386558 2.037024 -3.503731
H 4.234178 1.372412 1.966984
H 3.625946 0.559464 3.474946
H 4.364393 -0.416995 2.130553
H -0.854373 -3.519035 -1.315214
H -0.045846 -3.279450 -2.925953
H 0.907026 -3.853206 -1.488817


