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	hartrees
Energy at 0K	-266.350456
Energy at 298.15K	-266.354469
HF Energy	-265.558573
Nuclear repulsion energy	151.370254

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3704	3564
2	A	3201	3079
3	A	1539	1480
4	A	1327	1277
5	A	1242	1195
6	A	955	919
7	A	919	884
8	A	515	495
9	A	499	480
10	A	331	319
11	A	114	110
12	B	3704	3564
13	B	3201	3080
14	B	2044	1967
15	B	1431	1377
16	B	1300	1251
17	B	1122	1079
18	B	847	815
19	B	617	594
20	B	484	466
21	B	138	133

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.329
C2	0.000	1.321	0.364
C3	0.000	-1.321	0.364
O4	0.786	2.154	-0.405
O5	-0.786	-2.154	-0.405
H6	-0.647	1.908	1.017
H7	0.647	-1.908	1.017
H8	1.362	1.586	-0.953
H9	-1.362	-1.586	-0.953

	C1	C2	C3	O4	O5	H6	H7	H8	H9
C1		1.3218	1.3218	2.4074	2.4074	2.1286	2.1286	2.4522	2.4522
C2	1.3218		2.6426	1.3794	3.6449	1.0899	3.3573	1.9127	3.4702
C3	1.3218	2.6426		3.6449	1.3794	3.3573	1.0899	3.4702	1.9127
O4	2.4074	1.3794	3.6449		4.5856	2.0335	4.3053	0.9762	4.3476
O5	2.4074	3.6449	1.3794	4.5856		4.3053	2.0335	4.3476	0.9762
H6	2.1286	1.0899	3.3573	2.0335	4.3053		4.0290	2.8311	4.0740
H7	2.1286	3.3573	1.0899	4.3053	2.0335	4.0290		4.0740	2.8311
H8	2.4522	1.9127	3.4702	0.9762	4.3476	2.8311	4.0740		4.1810
H9	2.4522	3.4702	1.9127	4.3476	0.9762	4.0740	2.8311	4.1810

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	126.043	C1	C2	H6	123.631
C1	C3	O5	126.043	C1	C3	H7	123.631
C2	C1	C3	176.953	C2	O4	H8	107.340
C3	O5	H9	107.340	O4	C2	H6	110.323
O5	C3	H7	110.323

All results from a given calculation for HOCHCCHOH (allenediol)

using model chemistry: CCSD(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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