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	hartrees
Energy at 0K	-192.630784
Energy at 298.15K	-192.637017
HF Energy	-191.950374
Nuclear repulsion energy	115.761317

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3855	3855	25.78
2	A	3255	3255	14.66
3	A	3189	3189	5.98
4	A	3159	3159	9.77
5	A	3062	3062	35.58
6	A	3016	3016	48.67
7	A	1721	1721	1.23
8	A	1510	1510	1.31
9	A	1477	1477	14.08
10	A	1423	1423	6.28
11	A	1311	1311	0.69
12	A	1280	1280	25.81
13	A	1247	1247	45.67
14	A	1165	1165	17.12
15	A	1073	1073	83.53
16	A	1007	1007	20.77
17	A	969	969	5.48
18	A	951	951	32.97
19	A	923	923	0.41
20	A	651	651	5.18
21	A	442	442	3.42
22	A	335	335	10.47
23	A	262	262	111.19
24	A	111	111	1.76

Atom	x (Å)	y (Å)	z (Å)
C1	0.592	0.451	0.306
C2	-0.671	-0.368	0.264
C3	-1.840	0.085	-0.228
O4	1.627	-0.302	-0.348
H5	0.430	1.422	-0.198
H6	0.873	0.647	1.358
H7	-0.597	-1.382	0.674
H8	-2.741	-0.535	-0.217
H9	-1.929	1.090	-0.654
H10	2.461	0.166	-0.228

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5061	2.5174	1.4366	1.1058	1.1072	2.2160	3.5156	2.7723	1.9639
C2	1.5061		1.3470	2.3790	2.1515	2.1477	1.0963	2.1322	2.1329	3.2150
C3	2.5174	1.3470		3.4910	2.6352	3.1930	2.1237	1.0933	1.0952	4.3021
O4	1.4366	2.3790	3.4910		2.1035	2.0931	2.6758	4.3767	3.8306	0.9637
H5	1.1058	2.1515	2.6352	2.1035		1.7943	3.1109	3.7264	2.4254	2.3877
H6	1.1072	2.1477	3.1930	2.0931	1.7943		2.5977	4.1163	3.4778	2.2956
H7	2.2160	1.0963	2.1237	2.6758	3.1109	2.5977		2.4720	3.1058	3.5446
H8	3.5156	2.1322	1.0933	4.3767	3.7264	4.1163	2.4720		1.8678	5.2494
H9	2.7723	2.1329	1.0952	3.8306	2.4254	3.4778	3.1058	1.8678		4.5060
H10	1.9639	3.2150	4.3021	0.9637	2.3877	2.2956	3.5446	5.2494	4.5060

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.760	C1	C2	H7	115.856
C1	O4	H10	108.193	C2	C1	O4	107.862
C2	C1	H5	109.973	C2	C1	H6	109.596
C2	C3	H8	121.452	C2	C3	H9	121.366
C3	C2	H7	120.382	O4	C1	H5	110.991
O4	C1	H6	110.065	H5	C1	H6	108.348
H8	C3	H9	117.182

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

using model chemistry: CCSD=FULL/aug-cc-pVDZ

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: CCSD=FULL/aug-cc-pVDZ

States and conformations

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