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	hartrees
Energy at 0K	-192.950621
Energy at 298.15K	-192.956848
HF Energy	-192.739407
Nuclear repulsion energy	116.089500

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3834	3688	27.23
2	A	3260	3135	12.77
3	A	3188	3066	6.25
4	A	3163	3042	9.15
5	A	3062	2945	35.21
6	A	3013	2898	50.36
7	A	1709	1643	1.88
8	A	1498	1441	1.72
9	A	1464	1408	14.21
10	A	1409	1355	6.97
11	A	1312	1262	0.43
12	A	1271	1222	20.14
13	A	1232	1185	44.18
14	A	1160	1116	15.30
15	A	1047	1007	93.64
16	A	1016	977	22.23
17	A	967	930	21.93
18	A	960	923	24.71
19	A	922	887	0.33
20	A	655	630	5.85
21	A	444	427	3.55
22	A	334	321	10.55
23	A	256	247	110.89
24	A	113	108	1.84

Atom	x (Å)	y (Å)	z (Å)
C1	0.588	0.454	0.300
C2	-0.669	-0.361	0.264
C3	-1.836	0.079	-0.227
O4	1.624	-0.303	-0.346
H5	0.429	1.418	-0.209
H6	0.868	0.657	1.348
H7	-0.593	-1.368	0.682
H8	-2.731	-0.542	-0.208
H9	-1.930	1.076	-0.661
H10	2.463	0.152	-0.213

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4981	2.5081	1.4368	1.1022	1.1038	2.2045	3.5015	2.7656	1.9676
C2	1.4981		1.3401	2.3737	2.1436	2.1384	1.0930	2.1228	2.1238	3.2097
C3	2.5081	1.3401		3.4830	2.6309	3.1820	2.1129	1.0895	1.0914	4.2995
O4	1.4368	2.3737	3.4830		2.1005	2.0883	2.6655	4.3636	3.8255	0.9640
H5	1.1022	2.1436	2.6309	2.1005		1.7885	3.0988	3.7182	2.4259	2.3962
H6	1.1038	2.1384	3.1820	2.0883	1.7885		2.5844	4.1000	3.4701	2.2877
H7	2.2045	1.0930	2.1129	2.6655	3.0988	2.5844		2.4584	3.0926	3.5288
H8	3.5015	2.1228	1.0895	4.3636	3.7182	4.1000	2.4584		1.8611	5.2401
H9	2.7656	2.1238	1.0914	3.8255	2.4259	3.4701	3.0926	1.8611		4.5116
H10	1.9676	3.2097	4.2995	0.9640	2.3962	2.2877	3.5288	5.2401	4.5116

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.088	C1	C2	H7	115.709
C1	O4	H10	108.470	C2	C1	O4	107.934
C2	C1	H5	110.122	C2	C1	H6	109.614
C2	C3	H8	121.443	C2	C3	H9	121.391
C3	C2	H7	120.201	O4	C1	H5	110.953
O4	C1	H6	109.871	H5	C1	H6	108.340
H8	C3	H9	117.166

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

using model chemistry: B2PLYP=FULL/aug-cc-pVDZ

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: B2PLYP=FULL/aug-cc-pVDZ

States and conformations

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