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	hartrees
Energy at 0K	-192.509570
Energy at 298.15K	-192.515839
HF Energy	-191.913542
Nuclear repulsion energy	116.325691

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3790	3587	15.96
2	A	3269	3094	16.91
3	A	3203	3032	5.48
4	A	3183	3013	10.45
5	A	3065	2901	52.48
6	A	3022	2861	52.22
7	A	1764	1669	0.35
8	A	1574	1490	1.45
9	A	1520	1438	12.64
10	A	1467	1388	5.44
11	A	1342	1270	1.12
12	A	1306	1236	45.32
13	A	1276	1208	45.45
14	A	1193	1129	20.41
15	A	1116	1056	67.00
16	A	1030	975	15.48
17	A	1001	948	7.40
18	A	949	899	35.62
19	A	943	893	4.04
20	A	658	622	3.99
21	A	455	431	4.13
22	A	339	320	10.98
23	A	280	265	138.23
24	A	111	105	1.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.587	0.460	0.280
C2	-0.666	-0.364	0.251
C3	-1.838	0.076	-0.213
O4	1.627	-0.310	-0.324
H5	0.426	1.409	-0.255
H6	0.846	0.705	1.324
H7	-0.569	-1.373	0.653
H8	-2.731	-0.545	-0.194
H9	-1.951	1.075	-0.631
H10	2.459	0.176	-0.211

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4999	2.5046	1.4280	1.1016	1.1033	2.1989	3.4989	2.7664	1.9557
C2	1.4999		1.3352	2.3644	2.1427	2.1403	1.0903	2.1199	2.1214	3.2044
C3	2.5046	1.3352		3.4884	2.6277	3.1566	2.1114	1.0872	1.0890	4.2981
O4	1.4280	2.3644	3.4884		2.0984	2.0873	2.6282	4.3659	3.8493	0.9700
H5	1.1016	2.1427	2.6277	2.0984		1.7797	3.0909	3.7128	2.4298	2.3779
H6	1.1033	2.1403	3.1566	2.0873	1.7797		2.6022	4.0816	3.4332	2.2888
H7	2.1989	1.0903	2.1114	2.6282	3.0909	2.6022		2.4645	3.0902	3.5094
H8	3.4989	2.1199	1.0872	4.3659	3.7128	4.0816	2.4645		1.8499	5.2393
H9	2.7664	2.1214	1.0890	3.8493	2.4298	3.4332	3.0902	1.8499		4.5202
H10	1.9557	3.2044	4.2981	0.9700	2.3779	2.2888	3.5094	5.2393	4.5202

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.017	C1	C2	H7	115.282
C1	O4	H10	107.753	C2	C1	O4	107.689
C2	C1	H5	109.958	C2	C1	H6	109.672
C2	C3	H8	121.780	C2	C3	H9	121.788
C3	C2	H7	120.697	O4	C1	H5	111.447
O4	C1	H6	110.440	H5	C1	H6	107.637
H8	C3	H9	116.432

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

using model chemistry: CCD/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: CCD/6-31G*

States and conformations

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