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	hartrees
Energy at 0K	-192.753844
Energy at 298.15K	-192.760069
HF Energy	-191.999023
Nuclear repulsion energy	116.786125

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3839	3658	35.30
2	A	3274	3120	8.26
3	A	3198	3047	3.81
4	A	3174	3025	6.46
5	A	3086	2941	27.24
6	A	3036	2893	43.20
7	A	1701	1620	1.04
8	A	1529	1457	2.13
9	A	1476	1406	14.97
10	A	1422	1355	4.85
11	A	1312	1250	0.23
12	A	1283	1223	9.69
13	A	1237	1179	46.17
14	A	1166	1111	17.31
15	A	1066	1015	92.29
16	A	1025	977	26.00
17	A	973	927	6.06
18	A	951	907	35.66
19	A	927	884	0.75
20	A	660	629	5.61
21	A	443	422	3.38
22	A	334	318	10.63
23	A	246	234	110.40
24	A	113	108	2.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.583	0.449	0.306
C2	-0.666	-0.364	0.269
C3	-1.820	0.083	-0.231
O4	1.611	-0.300	-0.351
H5	0.416	1.409	-0.191
H6	0.867	0.643	1.345
H7	-0.598	-1.363	0.684
H8	-2.711	-0.527	-0.220
H9	-1.894	1.073	-0.660
H10	2.446	0.157	-0.212

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4906	2.4892	1.4304	1.0937	1.0948	2.1955	3.4763	2.7317	1.9554
C2	1.4906		1.3341	2.3602	2.1269	2.1263	1.0840	2.1095	2.1065	3.1920
C3	2.4892	1.3341		3.4534	2.5999	3.1648	2.1018	1.0806	1.0825	4.2667
O4	1.4304	2.3602	3.4534		2.0903	2.0777	2.6607	4.3300	3.7768	0.9627
H5	1.0937	2.1269	2.5999	2.0903		1.7749	3.0782	3.6786	2.3814	2.3848
H6	1.0948	2.1263	3.1648	2.0777	1.7749		2.5703	4.0774	3.4398	2.2701
H7	2.1955	1.0840	2.1018	2.6607	3.0782	2.5703		2.4455	3.0694	3.5188
H8	3.4763	2.1095	1.0806	4.3300	3.6786	4.0774	2.4455		1.8506	5.2031
H9	2.7317	2.1065	1.0825	3.7768	2.3814	3.4398	3.0694	1.8506		4.4589
H10	1.9554	3.1920	4.2667	0.9627	2.3848	2.2701	3.5188	5.2031	4.4589

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.489	C1	C2	H7	116.132
C1	O4	H10	107.995	C2	C1	O4	107.787
C2	C1	H5	109.819	C2	C1	H6	109.710
C2	C3	H8	121.407	C2	C3	H9	120.956
C3	C2	H7	120.379	O4	C1	H5	111.117
O4	C1	H6	110.019	H5	C1	H6	108.383
H8	C3	H9	117.636

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

using model chemistry: MP2/aug-cc-pVTZ

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/aug-cc-pVTZ

States and conformations

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