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	hartrees
Energy at 0K	-36.190712
Energy at 298.15K	-36.196912
HF Energy	-35.619920
Nuclear repulsion energy	65.535827

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3784	3606	16.94
2	A	3278	3123	17.37
3	A	3203	3051	8.09
4	A	3173	3023	10.38
5	A	3095	2949	49.89
6	A	3037	2893	62.06
7	A	1690	1610	0.55
8	A	1554	1480	1.22
9	A	1491	1421	15.92
10	A	1435	1368	3.57
11	A	1312	1250	1.54
12	A	1284	1224	35.32
13	A	1245	1186	57.07
14	A	1177	1121	17.48
15	A	1061	1011	79.84
16	A	1009	961	35.06
17	A	973	927	5.89
18	A	928	884	2.49
19	A	878	836	43.71
20	A	650	620	4.73
21	A	442	421	3.24
22	A	339	323	13.78
23	A	264	251	139.41
24	A	110	105	1.49

Atom	x (Å)	y (Å)	z (Å)
C1	0.591	0.457	0.312
C2	-0.671	-0.364	0.283
C3	-1.832	0.082	-0.238
O4	1.618	-0.305	-0.365
H5	0.422	1.422	-0.187
H6	0.885	0.647	1.356
H7	-0.604	-1.362	0.717
H8	-2.730	-0.530	-0.227
H9	-1.907	1.070	-0.688
H10	2.465	0.145	-0.197

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5060	2.5126	1.4474	1.0996	1.1009	2.2137	3.5058	2.7598	1.9667
C2	1.5060		1.3485	2.3804	2.1464	2.1440	1.0898	2.1274	2.1280	3.2131
C3	2.5126	1.3485		3.4745	2.6226	3.2006	2.1222	1.0864	1.0882	4.2974
O4	1.4474	2.3804	3.4745		2.1087	2.0986	2.6886	4.3564	3.7982	0.9731
H5	1.0996	2.1464	2.6226	2.1087		1.7874	3.1016	3.7071	2.4083	2.4091
H6	1.1009	2.1440	3.2006	2.0986	1.7874		2.5814	4.1183	3.4864	2.2708
H7	2.2137	1.0898	2.1222	2.6886	3.1016	2.5814		2.4703	3.0960	3.5392
H8	3.5058	2.1274	1.0864	4.3564	3.7071	4.1183	2.4703		1.8566	5.2383
H9	2.7598	2.1280	1.0882	3.7982	2.4083	3.4864	3.0960	1.8566		4.4956
H10	1.9667	3.2131	4.2974	0.9731	2.4091	2.2708	3.5392	5.2383	4.4956

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.246	C1	C2	H7	116.112
C1	O4	H10	107.052	C2	C1	O4	107.391
C2	C1	H5	109.948	C2	C1	H6	109.683
C2	C3	H8	121.420	C2	C3	H9	121.328
C3	C2	H7	120.642	O4	C1	H5	111.031
O4	C1	H6	110.136	H5	C1	H6	108.643
H8	C3	H9	117.251

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

using model chemistry: MP2/CEP-121G*

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/CEP-121G*

States and conformations

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