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	hartrees
Energy at 0K	-192.775776
Energy at 298.15K	-192.769693
HF Energy	-191.915557
Nuclear repulsion energy	117.438082

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4113	3875	43.40
2	A	3409	3212	24.86
3	A	3352	3158	7.27
4	A	3328	3135	18.16
5	A	3212	3026	66.16
6	A	3169	2985	77.26
7	A	1886	1777	1.08
8	A	1671	1575	1.36
9	A	1623	1529	23.45
10	A	1565	1474	8.24
11	A	1432	1349	1.53
12	A	1395	1314	21.37
13	A	1361	1282	110.13
14	A	1264	1191	28.90
15	A	1191	1122	76.35
16	A	1142	1076	7.51
17	A	1083	1020	54.57
18	A	1060	999	7.55
19	A	988	931	3.84
20	A	709	668	4.71
21	A	481	453	4.35
22	A	360	339	12.15
23	A	287	271	150.03
24	A	122	115	1.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.585	0.458	0.290
C2	-0.662	-0.361	0.263
C3	-1.828	0.076	-0.222
O4	1.616	-0.310	-0.336
H5	0.419	1.412	-0.232
H6	0.856	0.691	1.331
H7	-0.577	-1.362	0.680
H8	-2.720	-0.540	-0.205
H9	-1.928	1.068	-0.654
H10	2.452	0.172	-0.218

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4930	2.4964	1.4298	1.0996	1.1008	2.1946	3.4883	2.7526	1.9552
C2	1.4930		1.3359	2.3564	2.1345	2.1339	1.0879	2.1179	2.1171	3.1957
C3	2.4964	1.3359		3.4676	2.6137	3.1613	2.1090	1.0845	1.0861	4.2807
O4	1.4298	2.3564	3.4676		2.0996	2.0877	2.6355	4.3446	3.8154	0.9717
H5	1.0996	2.1345	2.6137	2.0996		1.7761	3.0848	3.6963	2.4086	2.3811
H6	1.1008	2.1339	3.1613	2.0877	1.7761		2.5870	4.0821	3.4396	2.2836
H7	2.1946	1.0879	2.1090	2.6355	3.0848	2.5870		2.4604	3.0835	3.5113
H8	3.4883	2.1179	1.0845	4.3446	3.6963	4.0821	2.4604		1.8479	5.2208
H9	2.7526	2.1171	1.0861	3.8154	2.4086	3.4396	3.0835	1.8479		4.4911
H10	1.9552	3.1957	4.2807	0.9717	2.3811	2.2836	3.5113	5.2208	4.4911

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.567	C1	C2	H7	115.060
C1	O4	H10	109.493	C2	C1	O4	108.329
C2	C1	H5	110.155	C2	C1	H6	109.364
C2	C3	H8	121.641	C2	C3	H9	121.929
C3	C2	H7	120.367	O4	C1	H5	111.199
O4	C1	H6	110.125	H5	C1	H6	107.657
H8	C3	H9	116.430

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

using model chemistry: G2

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: G2

States and conformations

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