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	hartrees
Energy at 0K	-192.737141
Energy at 298.15K	-192.743383
HF Energy	-191.995820
Nuclear repulsion energy	116.904054

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3863	3668	33.60
2	A	3281	3115	9.22
3	A	3206	3044	4.44
4	A	3181	3020	6.67
5	A	3085	2929	35.52
6	A	3035	2882	47.69
7	A	1708	1622	0.89
8	A	1530	1452	1.48
9	A	1484	1409	14.56
10	A	1432	1360	4.01
11	A	1315	1248	0.38
12	A	1290	1224	13.84
13	A	1245	1182	50.97
14	A	1173	1114	15.09
15	A	1083	1028	87.03
16	A	1032	980	22.75
17	A	977	928	5.84
18	A	955	907	36.49
19	A	931	884	1.41
20	A	663	629	5.24
21	A	446	423	3.42
22	A	334	317	9.78
23	A	251	238	111.83
24	A	113	107	1.64

Atom	x (Å)	y (Å)	z (Å)
C1	0.585	0.448	0.299
C2	-0.665	-0.364	0.266
C3	-1.821	0.082	-0.227
O4	1.611	-0.299	-0.349
H5	0.412	1.407	-0.197
H6	0.859	0.650	1.340
H7	-0.594	-1.363	0.678
H8	-2.712	-0.528	-0.213
H9	-1.898	1.073	-0.654
H10	2.444	0.154	-0.189

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4911	2.4898	1.4253	1.0936	1.0946	2.1944	3.4764	2.7326	1.9442
C2	1.4911		1.3330	2.3585	2.1235	2.1223	1.0832	2.1084	2.1049	3.1841
C3	2.4898	1.3330		3.4551	2.5962	3.1557	2.1000	1.0799	1.0818	4.2651
O4	1.4253	2.3585	3.4551		2.0912	2.0780	2.6555	4.3311	3.7804	0.9609
H5	1.0936	2.1235	2.5962	2.0912		1.7708	3.0743	3.6743	2.3784	2.3877
H6	1.0946	2.1223	3.1557	2.0780	1.7708		2.5695	4.0681	3.4290	2.2574
H7	2.1944	1.0832	2.1000	2.6555	3.0743	2.5695		2.4441	3.0671	3.5046
H8	3.4764	2.1084	1.0799	4.3311	3.6743	4.0681	2.4441		1.8489	5.2003
H9	2.7326	2.1049	1.0818	3.7804	2.3784	3.4290	3.0671	1.8489		4.4626
H10	1.9442	3.1841	4.2651	0.9609	2.3877	2.2574	3.5046	5.2003	4.4626

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.586	C1	C2	H7	116.051
C1	O4	H10	107.527	C2	C1	O4	107.919
C2	C1	H5	109.520	C2	C1	H6	109.362
C2	C3	H8	121.452	C2	C3	H9	120.958
C3	C2	H7	120.362	O4	C1	H5	111.563
O4	C1	H6	110.416	H5	C1	H6	108.042
H8	C3	H9	117.590

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

using model chemistry: MP2/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/cc-pVTZ

States and conformations

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