%chk=000245986.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245986

0 1
O -4.679833 0.297898 0.224304
O 3.748603 1.640941 1.292700
O -3.187124 1.469457 1.406157
O 4.265421 -0.226446 0.179146
C -0.027693 -1.229928 -0.042481
C -1.077468 -0.074927 -0.034303
C 1.388646 -0.637849 -0.351064
C -1.065628 0.717740 -1.356019
C 1.382752 0.159317 -1.669844
C 0.327870 1.270174 -1.672367
C -0.363325 -2.285995 -1.112559
C -0.008022 -1.934640 1.328914
C -2.503738 -0.593865 0.244516
C 1.924866 0.243466 0.796695
C -3.403395 0.507890 0.707919
C 3.400942 0.452882 0.680295
H -0.801241 0.626013 0.796306
H 2.095375 -1.500517 -0.471073
H -1.790475 1.552817 -1.295362
H -1.411790 0.075784 -2.189084
H 1.201978 -0.533029 -2.515587
H 2.387045 0.587820 -1.854249
H 0.316370 1.775988 -2.656854
H 0.599626 2.053777 -0.937207
H -1.302009 -2.803316 -0.892324
H -0.463182 -1.837656 -2.107859
H 0.416495 -3.053006 -1.177714
H 0.208340 -1.239995 2.149182
H -0.971667 -2.407372 1.552646
H 0.750438 -2.725322 1.358413
H -2.929660 -1.091963 -0.654043
H -2.482633 -1.384424 1.030585
H 1.397153 1.224618 0.821192
H 1.711126 -0.217618 1.788716
H -5.324219 0.993343 0.520090
H 4.724756 1.820144 1.260918


%chk=000245986-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245986

0 1
O -4.823182 0.177413 0.425350
O 3.811586 1.654172 1.370390
O -3.176846 1.668749 1.089867
O 4.284965 -0.167025 0.015898
C -0.039028 -1.237564 -0.043703
C -1.100048 -0.074545 -0.060702
C 1.391802 -0.640793 -0.348866
C -1.061831 0.745983 -1.379225
C 1.407721 0.177241 -1.671759
C 0.346874 1.301732 -1.683240
C -0.357937 -2.324596 -1.111543
C -0.030273 -1.946114 1.342162
C -2.540648 -0.568435 0.214708
C 1.964247 0.205909 0.820111
C -3.482019 0.551264 0.617242
C 3.442643 0.500854 0.656437
H -0.837677 0.619792 0.765189
H 2.078920 -1.502877 -0.475132
H -1.784044 1.581191 -1.302905
H -1.399370 0.108230 -2.222040
H 1.224170 -0.502636 -2.525711
H 2.419590 0.595466 -1.831955
H 0.348905 1.807991 -2.667718
H 0.602245 2.079228 -0.935277
H -1.336956 -2.799913 -0.917705
H -0.378593 -1.924151 -2.139055
H 0.407937 -3.122304 -1.079210
H -0.078294 -1.228168 2.182191
H -0.887007 -2.636503 1.448794
H 0.886957 -2.554367 1.460801
H -2.973832 -1.085042 -0.660619
H -2.560051 -1.300368 1.046268
H 1.432703 1.162018 0.960881
H 1.870713 -0.340667 1.778717
H -5.413494 0.918417 0.733600
H 4.793852 1.792620 1.276461


