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	hartrees
Energy at 0K	-192.591760
Energy at 298.15K	-192.598037
HF Energy	-191.938615
Nuclear repulsion energy	116.681664

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3956	3686	29.29
2	A	3338	3110	15.32
3	A	3266	3043	6.18
4	A	3243	3021	9.91
5	A	3141	2926	40.29
6	A	3092	2881	50.82
7	A	1768	1647	0.73
8	A	1575	1468	1.48
9	A	1524	1420	16.16
10	A	1466	1366	6.33
11	A	1349	1257	0.29
12	A	1312	1223	15.30
13	A	1263	1177	65.69
14	A	1197	1115	25.02
15	A	1108	1032	80.80
16	A	1035	964	24.20
17	A	994	926	6.49
18	A	950	885	37.49
19	A	947	883	8.13
20	A	665	619	5.52
21	A	452	421	3.71
22	A	345	322	12.51
23	A	264	246	142.34
24	A	112	104	1.84

Atom	x (Å)	y (Å)	z (Å)
C1	0.586	0.450	0.302
C2	-0.668	-0.365	0.267
C3	-1.825	0.082	-0.228
O4	1.615	-0.297	-0.350
H5	0.422	1.407	-0.198
H6	0.867	0.649	1.340
H7	-0.594	-1.363	0.679
H8	-2.716	-0.526	-0.218
H9	-1.911	1.071	-0.656
H10	2.456	0.140	-0.199

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4967	2.4961	1.4282	1.0924	1.0937	2.1957	3.4830	2.7462	1.9601
C2	1.4967		1.3349	2.3660	2.1322	2.1307	1.0822	2.1107	2.1114	3.1991
C3	2.4961	1.3349		3.4626	2.6088	3.1667	2.1038	1.0790	1.0810	4.2813
O4	1.4282	2.3660	3.4626		2.0857	2.0759	2.6594	4.3391	3.7943	0.9598
H5	1.0924	2.1322	2.6088	2.0857		1.7710	3.0781	3.6860	2.4016	2.3964
H6	1.0937	2.1307	3.1667	2.0759	1.7710		2.5734	4.0808	3.4471	2.2697
H7	2.1957	1.0822	2.1038	2.6594	3.0781	2.5734		2.4518	3.0726	3.5115
H8	3.4830	2.1107	1.0790	4.3391	3.6860	4.0808	2.4518		1.8409	5.2150
H9	2.7462	2.1114	1.0810	3.7943	2.4016	3.4471	3.0726	1.8409		4.4885
H10	1.9601	3.1991	4.2813	0.9598	2.3964	2.2697	3.5115	5.2150	4.4885

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.551	C1	C2	H7	115.802
C1	O4	H10	108.744	C2	C1	O4	107.958
C2	C1	H5	109.897	C2	C1	H6	109.701
C2	C3	H8	121.588	C2	C3	H9	121.492
C3	C2	H7	120.646	O4	C1	H5	110.976
O4	C1	H6	110.095	H5	C1	H6	108.210
H8	C3	H9	116.920

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

using model chemistry: MP3=FULL/6-31+G**

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=FULL/6-31+G**

States and conformations

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