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	hartrees
Energy at 0K	-192.503765
Energy at 298.15K	-192.510043
HF Energy	-191.913882
Nuclear repulsion energy	116.455881

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3820	3586	18.64
2	A	3294	3092	15.99
3	A	3228	3029	5.56
4	A	3207	3010	9.15
5	A	3088	2898	52.41
6	A	3046	2859	51.43
7	A	1773	1664	0.45
8	A	1581	1484	1.42
9	A	1525	1432	13.38
10	A	1472	1382	5.69
11	A	1348	1266	1.19
12	A	1311	1231	42.55
13	A	1281	1202	49.49
14	A	1197	1124	21.06
15	A	1121	1052	67.83
16	A	1037	973	17.53
17	A	1005	943	6.59
18	A	950	892	30.76
19	A	947	889	9.99
20	A	662	621	4.21
21	A	457	429	4.09
22	A	339	319	11.24
23	A	277	260	138.98
24	A	113	106	1.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.587	0.458	0.282
C2	-0.666	-0.365	0.252
C3	-1.835	0.077	-0.214
O4	1.625	-0.308	-0.326
H5	0.423	1.407	-0.248
H6	0.846	0.698	1.325
H7	-0.572	-1.372	0.652
H8	-2.727	-0.540	-0.197
H9	-1.944	1.075	-0.632
H10	2.456	0.176	-0.210

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4990	2.5010	1.4269	1.0998	1.1013	2.1974	3.4940	2.7601	1.9537
C2	1.4990		1.3337	2.3638	2.1396	2.1375	1.0883	2.1170	2.1180	3.2019
C3	2.5010	1.3337		3.4835	2.6212	3.1533	2.1090	1.0853	1.0871	4.2920
O4	1.4269	2.3638	3.4835		2.0961	2.0847	2.6301	4.3610	3.8399	0.9682
H5	1.0998	2.1396	2.6212	2.0961		1.7770	3.0868	3.7044	2.4209	2.3769
H6	1.1013	2.1375	3.1533	2.0847	1.7770		2.5978	4.0768	3.4285	2.2851
H7	2.1974	1.0883	2.1090	2.6301	3.0868	2.5978		2.4622	3.0856	3.5082
H8	3.4940	2.1170	1.0853	4.3610	3.7044	4.0768	2.4622		1.8469	5.2326
H9	2.7601	2.1180	1.0871	3.8399	2.4209	3.4285	3.0856	1.8469		4.5104
H10	1.9537	3.2019	4.2920	0.9682	2.3769	2.2851	3.5082	5.2326	4.5104

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.885	C1	C2	H7	115.350
C1	O4	H10	107.775	C2	C1	O4	107.754
C2	C1	H5	109.884	C2	C1	H6	109.632
C2	C3	H8	121.793	C2	C3	H9	121.743
C3	C2	H7	120.762	O4	C1	H5	111.461
O4	C1	H6	110.432	H5	C1	H6	107.676
H8	C3	H9	116.465

All results from a given calculation for C₃H₆O (2-Propen-1-ol)

using model chemistry: MP3/6-31G*

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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All results from a given calculation for C3H6O (2-Propen-1-ol)

using model chemistry: MP3/6-31G*

States and conformations

All results from a given calculation for C₃H₆O (2-Propen-1-ol)