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	hartrees
Energy at 0K	-192.628690
Energy at 298.15K	-192.634957
HF Energy	-191.956894
Nuclear repulsion energy	116.669212

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3854	3650	16.19
2	A	3282	3109	14.07
3	A	3207	3037	6.48
4	A	3183	3014	8.68
5	A	3082	2919	49.46
6	A	3033	2872	56.58
7	A	1718	1627	0.72
8	A	1557	1475	1.79
9	A	1506	1427	13.17
10	A	1452	1375	3.47
11	A	1325	1255	2.66
12	A	1308	1239	26.01
13	A	1268	1201	67.48
14	A	1188	1125	15.43
15	A	1101	1042	75.92
16	A	1024	970	26.28
17	A	984	932	5.76
18	A	940	891	3.20
19	A	920	872	44.82
20	A	657	623	5.13
21	A	453	429	4.15
22	A	341	323	14.06
23	A	270	256	145.86
24	A	115	109	1.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.588	0.456	0.286
C2	-0.662	-0.362	0.260
C3	-1.831	0.077	-0.218
O4	1.616	-0.301	-0.342
H5	0.419	1.411	-0.228
H6	0.855	0.676	1.331
H7	-0.574	-1.366	0.670
H8	-2.720	-0.543	-0.198
H9	-1.932	1.070	-0.645
H10	2.454	0.133	-0.163

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4939	2.5003	1.4231	1.0983	1.0997	2.1944	3.4898	2.7562	1.9468
C2	1.4939		1.3371	2.3572	2.1333	2.1267	1.0880	2.1165	2.1171	3.1835
C3	2.5003	1.3371		3.4706	2.6165	3.1577	2.1093	1.0841	1.0859	4.2864
O4	1.4231	2.3572	3.4706		2.0925	2.0808	2.6372	4.3460	3.8165	0.9601
H5	1.0983	2.1333	2.6165	2.0925		1.7780	3.0830	3.6985	2.4124	2.4045
H6	1.0997	2.1267	3.1577	2.0808	1.7780		2.5776	4.0747	3.4388	2.2550
H7	2.1944	1.0880	2.1093	2.6372	3.0830	2.5776		2.4568	3.0832	3.4798
H8	3.4898	2.1165	1.0841	4.3460	3.6985	4.0747	2.4568		1.8504	5.2188
H9	2.7562	2.1171	1.0859	3.8165	2.4124	3.4388	3.0832	1.8504		4.5115
H10	1.9468	3.1835	4.2864	0.9601	2.4045	2.2550	3.4798	5.2188	4.5115

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.965	C1	C2	H7	115.508
C1	O4	H10	107.972	C2	C1	O4	107.799
C2	C1	H5	109.822	C2	C1	H6	109.221
C2	C3	H8	121.536	C2	C3	H9	121.450
C3	C2	H7	120.525	O4	C1	H5	111.524
O4	C1	H6	110.483	H5	C1	H6	107.974
H8	C3	H9	117.014

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

using model chemistry: MP2=FULL/6-311G*

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/6-311G*

States and conformations

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