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	hartrees
Energy at 0K	-192.573773
Energy at 298.15K	-192.580043
HF Energy	-191.938469
Nuclear repulsion energy	116.570540

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3954	3679	29.07
2	A	3335	3103	15.52
3	A	3264	3037	6.22
4	A	3240	3015	9.93
5	A	3137	2919	40.53
6	A	3090	2875	50.95
7	A	1765	1642	0.70
8	A	1573	1464	1.44
9	A	1521	1416	16.10
10	A	1464	1362	6.42
11	A	1347	1254	0.30
12	A	1310	1219	16.74
13	A	1262	1174	64.55
14	A	1195	1112	24.63
15	A	1105	1029	81.13
16	A	1032	960	24.76
17	A	993	924	6.46
18	A	947	881	12.54
19	A	945	879	32.43
20	A	663	617	5.51
21	A	451	420	3.71
22	A	344	320	12.52
23	A	263	244	141.93
24	A	112	104	1.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.587	0.450	0.302
C2	-0.669	-0.366	0.267
C3	-1.827	0.082	-0.227
O4	1.617	-0.297	-0.349
H5	0.422	1.408	-0.199
H6	0.868	0.651	1.341
H7	-0.594	-1.365	0.678
H8	-2.719	-0.526	-0.218
H9	-1.913	1.072	-0.655
H10	2.458	0.141	-0.198

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4982	2.4983	1.4296	1.0935	1.0948	2.1979	3.4861	2.7485	1.9611
C2	1.4982		1.3362	2.3683	2.1343	2.1330	1.0832	2.1127	2.1134	3.2015
C3	2.4983	1.3362		3.4667	2.6111	3.1692	2.1059	1.0800	1.0819	4.2852
O4	1.4296	2.3683	3.4667		2.0876	2.0777	2.6614	4.3439	3.7988	0.9604
H5	1.0935	2.1343	2.6111	2.0876		1.7728	3.0811	3.6893	2.4035	2.3976
H6	1.0948	2.1330	3.1692	2.0777	1.7728		2.5767	4.0843	3.4492	2.2707
H7	2.1979	1.0832	2.1059	2.6614	3.0811	2.5767		2.4542	3.0756	3.5141
H8	3.4861	2.1127	1.0800	4.3439	3.6893	4.0843	2.4542		1.8427	5.2198
H9	2.7485	2.1134	1.0819	3.7988	2.4035	3.4492	3.0756	1.8427		4.4926
H10	1.9611	3.2015	4.2852	0.9604	2.3976	2.2707	3.5141	5.2198	4.4926

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.530	C1	C2	H7	115.811
C1	O4	H10	108.687	C2	C1	O4	107.958
C2	C1	H5	109.899	C2	C1	H6	109.718
C2	C3	H8	121.579	C2	C3	H9	121.490
C3	C2	H7	120.659	O4	C1	H5	110.966
O4	C1	H6	110.079	H5	C1	H6	108.217
H8	C3	H9	116.930

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

using model chemistry: MP3/6-31+G**

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: MP3/6-31+G**

States and conformations

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