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	hartrees
Energy at 0K	-192.572323
Energy at 298.15K	-192.578578
HF Energy	-191.934940
Nuclear repulsion energy	115.985054

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3885	3717	24.04
2	A	3270	3128	14.58
3	A	3197	3058	6.00
4	A	3173	3035	9.61
5	A	3055	2923	57.32
6	A	3011	2881	58.56
7	A	1747	1671	0.50
8	A	1521	1455	1.19
9	A	1498	1433	13.83
10	A	1439	1376	5.04
11	A	1311	1255	4.05
12	A	1293	1237	44.54
13	A	1263	1208	46.63
14	A	1173	1122	17.83
15	A	1124	1075	63.80
16	A	1022	978	15.51
17	A	979	936	4.32
18	A	949	908	30.46
19	A	929	889	1.74
20	A	652	624	4.32
21	A	448	428	3.78
22	A	332	318	9.36
23	A	270	258	114.89
24	A	112	107	1.25

Atom	x (Å)	y (Å)	z (Å)
C1	0.597	0.452	0.284
C2	-0.667	-0.368	0.249
C3	-1.846	0.082	-0.214
O4	1.630	-0.304	-0.333
H5	0.427	1.420	-0.232
H6	0.852	0.679	1.342
H7	-0.579	-1.389	0.645
H8	-2.745	-0.544	-0.196
H9	-1.951	1.094	-0.625
H10	2.453	0.178	-0.194

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5075	2.5206	1.4213	1.1100	1.1116	2.2140	3.5203	2.7802	1.9358
C2	1.5075		1.3438	2.3710	2.1507	2.1443	1.0989	2.1320	2.1327	3.1986
C3	2.5206	1.3438		3.4996	2.6375	3.1708	2.1234	1.0958	1.0976	4.2999
O4	1.4213	2.3710	3.4996		2.1049	2.0925	2.6480	4.3840	3.8552	0.9639
H5	1.1100	2.1507	2.6375	2.1049		1.7910	3.1098	3.7310	2.4317	2.3762
H6	1.1116	2.1443	3.1708	2.0925	1.7910		2.6090	4.0984	3.4489	2.2747
H7	2.2140	1.0989	2.1234	2.6480	3.1098	2.6090		2.4729	3.1085	3.5143
H8	3.5203	2.1320	1.0958	4.3840	3.7310	4.0984	2.4729		1.8708	5.2479
H9	2.7802	2.1327	1.0976	3.8552	2.4317	3.4489	3.1085	1.8708		4.5182
H10	1.9358	3.1986	4.2999	0.9639	2.3762	2.2747	3.5143	5.2479	4.5182

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.163	C1	C2	H7	115.412
C1	O4	H10	106.936	C2	C1	O4	108.068
C2	C1	H5	109.568	C2	C1	H6	108.981
C2	C3	H8	121.505	C2	C3	H9	121.430
C3	C2	H7	120.423	O4	C1	H5	111.926
O4	C1	H6	110.816	H5	C1	H6	107.446
H8	C3	H9	117.065

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

using model chemistry: CCD/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: CCD/cc-pVDZ

States and conformations

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