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	hartrees
Energy at 0K	-192.625928
Energy at 298.15K	-192.632204
HF Energy	-191.990617
Nuclear repulsion energy	116.800177

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3863	3662	26.54
2	A	3294	3123	11.57
3	A	3219	3051	5.75
4	A	3195	3028	7.78
5	A	3099	2937	40.28
6	A	3048	2889	51.18
7	A	1714	1625	0.52
8	A	1535	1455	2.04
9	A	1500	1422	17.26
10	A	1449	1373	2.52
11	A	1329	1260	0.87
12	A	1303	1235	14.26
13	A	1255	1190	53.87
14	A	1185	1123	18.01
15	A	1073	1017	86.04
16	A	1021	968	30.12
17	A	980	929	5.25
18	A	935	887	2.01
19	A	881	835	35.74
20	A	661	626	4.63
21	A	447	424	3.05
22	A	345	327	12.70
23	A	270	256	127.24
24	A	123	117	0.91

Atom	x (Å)	y (Å)	z (Å)
C1	0.586	0.442	0.315
C2	-0.668	-0.363	0.277
C3	-1.813	0.085	-0.237
O4	1.605	-0.295	-0.367
H5	0.414	1.414	-0.160
H6	0.876	0.616	1.358
H7	-0.605	-1.357	0.705
H8	-2.709	-0.520	-0.234
H9	-1.882	1.072	-0.678
H10	2.442	0.147	-0.189

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4910	2.4881	1.4306	1.0951	1.0960	2.1928	3.4767	2.7345	1.9453
C2	1.4910		1.3327	2.3636	2.1257	2.1240	1.0845	2.1098	2.1082	3.1858
C3	2.4881	1.3327		3.4416	2.5951	3.1717	2.1042	1.0811	1.0831	4.2557
O4	1.4306	2.3636	3.4416		2.0927	2.0827	2.6761	4.3218	3.7580	0.9631
H5	1.0951	2.1257	2.5951	2.0927		1.7756	3.0765	3.6746	2.3793	2.3905
H6	1.0960	2.1240	3.1717	2.0827	1.7756		2.5522	4.0842	3.4589	2.2505
H7	2.1928	1.0845	2.1042	2.6761	3.0765	2.5522		2.4516	3.0733	3.5135
H8	3.4767	2.1098	1.0811	4.3218	3.6746	4.0842	2.4516		1.8481	5.1940
H9	2.7345	2.1082	1.0831	3.7580	2.3793	3.4589	3.0733	1.8481		4.4486
H10	1.9453	3.1858	4.2557	0.9631	2.3905	2.2505	3.5135	5.1940	4.4486

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.469	C1	C2	H7	115.836
C1	O4	H10	107.092	C2	C1	O4	107.979
C2	C1	H5	109.622	C2	C1	H6	109.426
C2	C3	H8	121.521	C2	C3	H9	121.195
C3	C2	H7	120.695	O4	C1	H5	111.208
O4	C1	H6	110.332	H5	C1	H6	108.260
H8	C3	H9	117.284

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

using model chemistry: MP2/TZVP

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: MP2/TZVP

States and conformations

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