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	hartrees
Energy at 0K	-192.694024
Energy at 298.15K	-192.700304
HF Energy	-191.990738
Nuclear repulsion energy	116.874209

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3865	3682	26.88
2	A	3294	3138	11.30
3	A	3219	3066	5.66
4	A	3194	3043	7.63
5	A	3099	2952	39.87
6	A	3047	2903	50.83
7	A	1716	1635	0.54
8	A	1536	1463	2.09
9	A	1501	1430	17.24
10	A	1450	1381	2.47
11	A	1330	1267	0.83
12	A	1304	1243	13.48
13	A	1256	1196	54.06
14	A	1186	1130	18.48
15	A	1075	1024	86.05
16	A	1024	975	29.71
17	A	981	934	5.25
18	A	936	892	2.07
19	A	884	842	36.12
20	A	662	631	4.65
21	A	448	427	3.07
22	A	345	329	12.68
23	A	270	257	127.61
24	A	123	117	0.92

Atom	x (Å)	y (Å)	z (Å)
C1	0.586	0.442	0.315
C2	-0.668	-0.362	0.277
C3	-1.813	0.085	-0.236
O4	1.604	-0.295	-0.367
H5	0.414	1.413	-0.161
H6	0.875	0.617	1.356
H7	-0.604	-1.356	0.705
H8	-2.707	-0.521	-0.233
H9	-1.882	1.070	-0.678
H10	2.441	0.147	-0.189

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4900	2.4868	1.4296	1.0943	1.0953	2.1911	3.4746	2.7334	1.9447
C2	1.4900		1.3316	2.3621	2.1245	2.1224	1.0838	2.1083	2.1068	3.1844
C3	2.4868	1.3316		3.4399	2.5941	3.1693	2.1026	1.0804	1.0824	4.2542
O4	1.4296	2.3621	3.4399		2.0913	2.0813	2.6736	4.3193	3.7570	0.9629
H5	1.0943	2.1245	2.5941	2.0913		1.7742	3.0744	3.6729	2.3790	2.3896
H6	1.0953	2.1224	3.1693	2.0813	1.7742		2.5505	4.0811	3.4565	2.2497
H7	2.1911	1.0838	2.1026	2.6736	3.0744	2.5505		2.4497	3.0712	3.5111
H8	3.4746	2.1083	1.0804	4.3193	3.6729	4.0811	2.4497		1.8467	5.1916
H9	2.7334	2.1068	1.0824	3.7570	2.3790	3.4565	3.0712	1.8467		4.4478
H10	1.9447	3.1844	4.2542	0.9629	2.3896	2.2497	3.5111	5.1916	4.4478

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.503	C1	C2	H7	115.809
C1	O4	H10	107.132	C2	C1	O4	107.991
C2	C1	H5	109.629	C2	C1	H6	109.412
C2	C3	H8	121.526	C2	C3	H9	121.208
C3	C2	H7	120.687	O4	C1	H5	111.213
O4	C1	H6	110.336	H5	C1	H6	108.246
H8	C3	H9	117.266

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

using model chemistry: MP2=FULL/TZVP

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=FULL/TZVP

States and conformations

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