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	hartrees
Energy at 0K	-264.635558
Energy at 298.15K	-264.639565
HF Energy	-264.083101
Nuclear repulsion energy	149.196128

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3454	3350
2	A	3168	3072
3	A	1476	1431
4	A	1328	1288
5	A	1218	1181
6	A	963	934
7	A	882	855
8	A	532	516
9	A	499	484
10	A	335	325
11	A	103	100
12	B	3454	3350
13	B	3169	3074
14	B	1997	1937
15	B	1420	1377
16	B	1317	1277
17	B	1005	975
18	B	889	862
19	B	611	593
20	B	487	472
21	B	131	127

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.413
C2	0.000	1.322	0.377
C3	0.000	-1.322	0.377
O4	0.805	2.162	-0.439
O5	-0.805	-2.162	-0.439
H6	-0.634	1.946	1.005
H7	0.634	-1.946	1.005
H8	1.396	1.579	-0.994
H9	-1.396	-1.579	-0.994

	C1	C2	C3	O4	O5	H6	H7	H8	H9
C1		1.3225	1.3225	2.4595	2.4595	2.1305	2.1305	2.5341	2.5341
C2	1.3225		2.6440	1.4216	3.6679	1.0886	3.3876	1.9733	3.4995
C3	1.3225	2.6440		3.6679	1.4216	3.3876	1.0886	3.4995	1.9733
O4	2.4595	1.4216	3.6679		4.6140	2.0503	4.3578	0.9976	4.3760
O5	2.4595	3.6679	1.4216	4.6140		4.3578	2.0503	4.3760	0.9976
H6	2.1305	1.0886	3.3876	2.0503	4.3578		4.0936	2.8719	4.1234
H7	2.1305	3.3876	1.0886	4.3578	2.0503	4.0936		4.1234	2.8719
H8	2.5341	1.9733	3.4995	0.9976	4.3760	2.8719	4.1234		4.2157
H9	2.5341	3.4995	1.9733	4.3760	0.9976	4.1234	2.8719	4.2157

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	127.312	C1	C2	H6	123.878
C1	C3	O5	127.312	C1	C3	H7	123.878
C2	C1	C3	176.898	C2	O4	H8	108.030
C3	O5	H9	108.030	O4	C2	H6	108.805
O5	C3	H7	108.805

All results from a given calculation for HOCHCCHOH (allenediol)

using model chemistry: MP4/3-21G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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