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	hartrees
Energy at 0K	-266.355362
Energy at 298.15K	-266.359469
HF Energy	-265.577749
Nuclear repulsion energy	152.155684

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3912	3668	28.36
2	A	3268	3064	9.90
3	A	1574	1476	31.13
4	A	1342	1258	0.10
5	A	1259	1181	27.33
6	A	977	916	89.95
7	A	951	891	5.33
8	A	530	496	54.48
9	A	491	460	77.60
10	A	340	318	23.60
11	A	124	117	0.13
12	B	3912	3668	36.73
13	B	3269	3065	14.45
14	B	2108	1976	269.39
15	B	1444	1354	92.96
16	B	1311	1229	0.21
17	B	1147	1075	486.44
18	B	873	819	8.90
19	B	638	598	45.45
20	B	464	435	128.21
21	B	154	144	1.38

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.324
C2	0.000	1.314	0.362
C3	0.000	-1.314	0.362
O4	0.780	2.147	-0.402
O5	-0.780	-2.147	-0.402
H6	-0.645	1.886	1.016
H7	0.645	-1.886	1.016
H8	1.353	1.599	-0.948
H9	-1.353	-1.599	-0.948

	C1	C2	C3	O4	O5	H6	H7	H8	H9
C1		1.3146	1.3146	2.3973	2.3973	2.1097	2.1097	2.4507	2.4507
C2	1.3146		2.6280	1.3733	3.6294	1.0823	3.3291	1.9046	3.4686
C3	1.3146	2.6280		3.6294	1.3733	3.3291	1.0823	3.4686	1.9046
O4	2.3973	1.3733	3.6294		4.5694	2.0273	4.2772	0.9632	4.3453
O5	2.3973	3.6294	1.3733	4.5694		4.2772	2.0273	4.3453	0.9632
H6	2.1097	1.0823	3.3291	2.0273	4.2772		3.9862	2.8167	4.0623
H7	2.1097	3.3291	1.0823	4.2772	2.0273	3.9862		4.0623	2.8167
H8	2.4507	1.9046	3.4686	0.9632	4.3453	2.8167	4.0623		4.1885
H9	2.4507	3.4686	1.9046	4.3453	0.9632	4.0623	2.8167	4.1885

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	126.211	C1	C2	H6	123.043
C1	C3	O5	126.211	C1	C3	H7	123.043
C2	C1	C3	176.737	C2	O4	H8	107.920
C3	O5	H9	107.920	O4	C2	H6	110.744
O5	C3	H7	110.744

All results from a given calculation for HOCHCCHOH (allenediol)

using model chemistry: CCD/6-31G**

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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