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	hartrees
Energy at 0K	-266.351762
Energy at 298.15K	-266.355800
HF Energy	-265.558314
Nuclear repulsion energy	151.300689

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3699	3532
2	A	3199	3055
3	A	1531	1462
4	A	1321	1262
5	A	1242	1186
6	A	952	909
7	A	922	880
8	A	525	501
9	A	502	479
10	A	333	318
11	A	114	109
12	B	3699	3532
13	B	3200	3056
14	B	2036	1944
15	B	1427	1363
16	B	1296	1237
17	B	1118	1068
18	B	852	813
19	B	616	588
20	B	500	477
21	B	139	133

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.332
C2	0.000	1.322	0.364
C3	0.000	-1.322	0.364
O4	0.787	2.155	-0.405
O5	-0.787	-2.155	-0.405
H6	-0.646	1.912	1.015
H7	0.646	-1.912	1.015
H8	1.359	1.585	-0.954
H9	-1.359	-1.585	-0.954

	C1	C2	C3	O4	O5	H6	H7	H8	H9
C1		1.3221	1.3221	2.4096	2.4096	2.1305	2.1305	2.4522	2.4522
C2	1.3221		2.6435	1.3803	3.6467	1.0903	3.3613	1.9117	3.4690
C3	1.3221	2.6435		3.6467	1.3803	3.3613	1.0903	3.4690	1.9117
O4	2.4096	1.3803	3.6467		4.5880	2.0316	4.3101	0.9767	4.3465
O5	2.4096	3.6467	1.3803	4.5880		4.3101	2.0316	4.3465	0.9767
H6	2.1305	1.0903	3.3613	2.0316	4.3101		4.0364	2.8290	4.0760
H7	2.1305	3.3613	1.0903	4.3101	2.0316	4.0364		4.0760	2.8290
H8	2.4522	1.9117	3.4690	0.9767	4.3465	2.8290	4.0760		4.1759
H9	2.4522	3.4690	1.9117	4.3465	0.9767	4.0760	2.8290	4.1759

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	126.151	C1	C2	H6	123.766
C1	C3	O5	126.151	C1	C3	H7	123.766
C2	C1	C3	177.216	C2	O4	H8	107.159
C3	O5	H9	107.159	O4	C2	H6	110.082
O5	C3	H7	110.082

All results from a given calculation for HOCHCCHOH (allenediol)

using model chemistry: MP4/6-31G*

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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