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	hartrees
Energy at 0K	-192.780572
Energy at 298.15K	-192.774568
HF Energy	-191.911513
Nuclear repulsion energy	117.363096

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4121	4121	33.20
2	A	3394	3394	24.20
3	A	3339	3339	7.11
4	A	3310	3310	16.77
5	A	3199	3199	66.39
6	A	3153	3153	76.29
7	A	1882	1882	1.22
8	A	1657	1657	1.18
9	A	1614	1614	22.70
10	A	1555	1555	7.18
11	A	1421	1421	2.73
12	A	1391	1391	20.44
13	A	1358	1358	118.43
14	A	1256	1256	30.42
15	A	1185	1185	68.33
16	A	1134	1134	9.58
17	A	1069	1069	46.77
18	A	1052	1052	9.28
19	A	982	982	3.61
20	A	705	705	4.69
21	A	479	479	4.93
22	A	357	357	13.05
23	A	299	299	163.05
24	A	122	122	1.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.592	0.453	0.273
C2	-0.669	-0.361	0.237
C3	-1.832	0.078	-0.205
O4	1.621	-0.302	-0.313
H5	0.446	1.396	-0.254
H6	0.843	0.688	1.311
H7	-0.575	-1.366	0.622
H8	-2.716	-0.540	-0.185
H9	-1.952	1.074	-0.607
H10	2.444	0.147	-0.219

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5011	2.4988	1.4046	1.0904	1.0928	2.1891	3.4834	2.7621	1.9408
C2	1.5011		1.3197	2.3561	2.1386	2.1306	1.0803	2.0974	2.1016	3.1871
C3	2.4988	1.3197		3.4759	2.6325	3.1346	2.0861	1.0785	1.0800	4.2767
O4	1.4046	2.3561	3.4759		2.0656	2.0544	2.6137	4.3454	3.8399	0.9421
H5	1.0904	2.1386	2.6325	2.0656		1.7625	3.0727	3.7082	2.4452	2.3559
H6	1.0928	2.1306	3.1346	2.0544	1.7625		2.5893	4.0507	3.4111	2.2792
H7	2.1891	1.0803	2.0861	2.6137	3.0727	2.5893		2.4325	3.0592	3.4806
H8	3.4834	2.0974	1.0785	4.3454	3.7082	4.0507	2.4325		1.8343	5.2054
H9	2.7621	2.1016	1.0800	3.8399	2.4452	3.4111	3.0592	1.8343		4.5089
H10	1.9408	3.1871	4.2767	0.9421	2.3559	2.2792	3.4806	5.2054	4.5089

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.583	C1	C2	H7	115.015
C1	O4	H10	110.021	C2	C1	O4	108.314
C2	C1	H5	110.214	C2	C1	H6	109.436
C2	C3	H8	121.661	C2	C3	H9	121.955
C3	C2	H7	120.396	O4	C1	H5	111.142
O4	C1	H6	110.063	H5	C1	H6	107.662
H8	C3	H9	116.385

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

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

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