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	hartrees
Energy at 0K	-192.268948
Energy at 298.15K	-192.275131
HF Energy	-191.835701
Nuclear repulsion energy	114.536390

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3621	3489	2.57
2	A	3203	3087	26.55
3	A	3147	3032	5.74
4	A	3115	3002	13.17
5	A	3006	2897	55.22
6	A	2968	2860	47.59
7	A	1703	1641	0.69
8	A	1566	1509	1.09
9	A	1505	1450	7.87
10	A	1450	1397	5.28
11	A	1341	1292	0.01
12	A	1281	1234	36.64
13	A	1241	1196	29.92
14	A	1168	1125	17.08
15	A	1018	981	21.30
16	A	1006	969	16.56
17	A	987	951	58.75
18	A	942	908	40.13
19	A	923	889	1.03
20	A	640	617	4.21
21	A	450	434	4.63
22	A	326	314	13.11
23	A	270	260	177.84
24	A	98	94	1.90

Atom	x (Å)	y (Å)	z (Å)
C1	0.578	0.494	0.267
C2	-0.671	-0.359	0.255
C3	-1.871	0.058	-0.212
O4	1.665	-0.329	-0.304
H5	0.423	1.412	-0.330
H6	0.834	0.795	1.302
H7	-0.548	-1.363	0.674
H8	-2.757	-0.580	-0.181
H9	-2.008	1.053	-0.649
H10	2.518	0.151	-0.244

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5128	2.5328	1.4776	1.1064	1.1076	2.2096	3.5319	2.8003	2.0350
C2	1.5128		1.3529	2.4025	2.1628	2.1665	1.0948	2.1418	2.1444	3.2678
C3	2.5328	1.3529		3.5579	2.6663	3.1861	2.1338	1.0924	1.0950	4.3893
O4	1.4776	2.4025	3.5579		2.1385	2.1281	2.6315	4.4306	3.9398	0.9798
H5	1.1064	2.1628	2.6663	2.1385		1.7925	3.1071	3.7554	2.4788	2.4466
H6	1.1076	2.1665	3.1861	2.1281	1.7925		2.6386	4.1210	3.4573	2.3745
H7	2.2096	1.0948	2.1338	2.6315	3.1071	2.6386		2.4940	3.1174	3.5404
H8	3.5319	2.1418	1.0924	4.4306	3.7554	4.1210	2.4940		1.8561	5.3251
H9	2.8003	2.1444	1.0950	3.9398	2.4788	3.4573	3.1174	1.8561		4.6329
H10	2.0350	3.2678	4.3893	0.9798	2.4466	2.3745	3.5404	5.3251	4.6329

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.126	C1	C2	H7	114.910
C1	O4	H10	110.159	C2	C1	O4	106.904
C2	C1	H5	110.373	C2	C1	H6	110.592
C2	C3	H8	121.934	C2	C3	H9	121.967
C3	C2	H7	120.959	O4	C1	H5	110.884
O4	C1	H6	109.987	H5	C1	H6	108.116
H8	C3	H9	116.098

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

using model chemistry: QCISD/6-31G

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: QCISD/6-31G

States and conformations

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