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	hartrees
Energy at 0K	-266.351425
Energy at 298.15K	-266.355437
HF Energy	-265.558461
Nuclear repulsion energy	151.334713

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3701	3551
2	A	3199	3069
3	A	1536	1474
4	A	1326	1272
5	A	1241	1191
6	A	954	915
7	A	918	881
8	A	515	494
9	A	499	479
10	A	331	317
11	A	114	109
12	B	3701	3551
13	B	3199	3069
14	B	2042	1959
15	B	1430	1372
16	B	1299	1246
17	B	1119	1074
18	B	846	812
19	B	616	591
20	B	485	466
21	B	138	133

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.330
C2	0.000	1.322	0.365
C3	0.000	-1.322	0.365
O4	0.787	2.154	-0.405
O5	-0.787	-2.154	-0.405
H6	-0.647	1.909	1.016
H7	0.647	-1.909	1.016
H8	1.361	1.585	-0.953
H9	-1.361	-1.585	-0.953

	C1	C2	C3	O4	O5	H6	H7	H8	H9
C1		1.3220	1.3220	2.4080	2.4080	2.1292	2.1292	2.4522	2.4522
C2	1.3220		2.6431	1.3800	3.6455	1.0900	3.3585	1.9129	3.4699
C3	1.3220	2.6431		3.6455	1.3800	3.3585	1.0900	3.4699	1.9129
O4	2.4080	1.3800	3.6455		4.5861	2.0338	4.3066	0.9764	4.3471
O5	2.4080	3.6455	1.3800	4.5861		4.3066	2.0338	4.3471	0.9764
H6	2.1292	1.0900	3.3585	2.0338	4.3066		4.0310	2.8313	4.0744
H7	2.1292	3.3585	1.0900	4.3066	2.0338	4.0310		4.0744	2.8313
H8	2.4522	1.9129	3.4699	0.9764	4.3471	2.8313	4.0744		4.1795
H9	2.4522	3.4699	1.9129	4.3471	0.9764	4.0744	2.8313	4.1795

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	126.038	C1	C2	H6	123.662
C1	C3	O5	126.038	C1	C3	H7	123.662
C2	C1	C3	177.011	C2	O4	H8	107.306
C3	O5	H9	107.306	O4	C2	H6	110.298
O5	C3	H7	110.298

All results from a given calculation for HOCHCCHOH (allenediol)

using model chemistry: QCISD(T)/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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