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	hartrees
Energy at 0K	-266.766356
Energy at 298.15K	-266.770454
HF Energy	-265.675640
Nuclear repulsion energy	152.556500

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3806	3665
2	A	3201	3082
3	A	1511	1455
4	A	1310	1261
5	A	1228	1182
6	A	946	910
7	A	930	895
8	A	530	511
9	A	504	485
10	A	337	325
11	A	117	113
12	B	3806	3665
13	B	3199	3081
14	B	2029	1954
15	B	1411	1358
16	B	1278	1230
17	B	1109	1067
18	B	871	839
19	B	622	599
20	B	491	473
21	B	141	136

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.330
C2	0.000	1.312	0.359
C3	0.000	-1.312	0.359
O4	0.780	2.141	-0.401
O5	-0.780	-2.141	-0.401
H6	-0.644	1.882	1.010
H7	0.644	-1.882	1.010
H8	1.343	1.580	-0.946
H9	-1.343	-1.580	-0.946

	C1	C2	C3	O4	O5	H6	H7	H8	H9
C1		1.3120	1.3120	2.3930	2.3930	2.1024	2.1024	2.4346	2.4346
C2	1.3120		2.6234	1.3687	3.6205	1.0785	3.3226	1.8916	3.4451
C3	1.3120	2.6234		3.6205	1.3687	3.3226	1.0785	3.4451	1.8916
O4	2.3930	1.3687	3.6205		4.5576	2.0204	4.2659	0.9640	4.3186
O5	2.3930	3.6205	1.3687	4.5576		4.2659	2.0204	4.3186	0.9640
H6	2.1024	1.0785	3.3226	2.0204	4.2659		3.9787	2.8039	4.0377
H7	2.1024	3.3226	1.0785	4.2659	2.0204	3.9787		4.0377	2.8039
H8	2.4346	1.8916	3.4451	0.9640	4.3186	2.8039	4.0377		4.1469
H9	2.4346	3.4451	1.8916	4.3186	0.9640	4.0377	2.8039	4.1469

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O4	126.408	C1	C2	H6	122.853
C1	C3	O5	126.408	C1	C3	H7	122.853
C2	C1	C3	177.439	C2	O4	H8	107.093
C3	O5	H9	107.093	O4	C2	H6	110.739
O5	C3	H7	110.739

All results from a given calculation for HOCHCCHOH (allenediol)

using model chemistry: MP4=FULL/cc-pVTZ

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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