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	hartrees
Energy at 0K	-192.544523
Energy at 298.15K	-192.550806
HF Energy	-191.928998
Nuclear repulsion energy	116.783125

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3893	3638	18.72
2	A	3345	3125	13.55
3	A	3264	3050	5.90
4	A	3241	3029	7.96
5	A	3121	2917	54.16
6	A	3069	2868	54.72
7	A	1748	1634	0.28
8	A	1578	1474	1.43
9	A	1521	1421	14.16
10	A	1464	1368	6.86
11	A	1341	1253	0.42
12	A	1304	1218	18.09
13	A	1264	1182	57.03
14	A	1192	1114	22.71
15	A	1102	1029	76.64
16	A	1045	977	20.93
17	A	997	932	6.42
18	A	951	888	20.14
19	A	947	885	13.93
20	A	665	621	3.88
21	A	452	423	3.98
22	A	339	317	10.58
23	A	275	257	130.85
24	A	114	106	1.24

Atom	x (Å)	y (Å)	z (Å)
C1	0.586	0.454	0.293
C2	-0.663	-0.362	0.265
C3	-1.825	0.078	-0.225
O4	1.614	-0.307	-0.339
H5	0.416	1.408	-0.218
H6	0.855	0.679	1.332
H7	-0.583	-1.358	0.682
H8	-2.714	-0.533	-0.209
H9	-1.915	1.066	-0.655
H10	2.442	0.170	-0.216

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4921	2.4937	1.4271	1.0949	1.0961	2.1914	3.4805	2.7432	1.9464
C2	1.4921		1.3351	2.3563	2.1284	2.1277	1.0828	2.1118	2.1098	3.1872
C3	2.4937	1.3351		3.4618	2.6058	3.1566	2.1036	1.0793	1.0810	4.2680
O4	1.4271	2.3563	3.4618		2.0947	2.0832	2.6411	4.3357	3.7991	0.9637
H5	1.0949	2.1284	2.6058	2.0947		1.7675	3.0755	3.6833	2.3964	2.3744
H6	1.0961	2.1277	3.1566	2.0832	1.7675		2.5773	4.0720	3.4307	2.2748
H7	2.1914	1.0828	2.1036	2.6411	3.0755	2.5773		2.4521	3.0716	3.5065
H8	3.4805	2.1118	1.0793	4.3357	3.6833	4.0720	2.4521		1.8423	5.2041
H9	2.7432	2.1098	1.0810	3.7991	2.3964	3.4307	3.0716	1.8423		4.4700
H10	1.9464	3.1872	4.2680	0.9637	2.3744	2.2748	3.5065	5.2041	4.4700

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.690	C1	C2	H7	115.744
C1	O4	H10	107.416	C2	C1	O4	107.626
C2	C1	H5	109.767	C2	C1	H6	109.639
C2	C3	H8	121.653	C2	C3	H9	121.316
C3	C2	H7	120.564	O4	C1	H5	111.641
O4	C1	H6	110.620	H5	C1	H6	107.546
H8	C3	H9	117.031

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G**

States and conformations

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