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	hartrees
Energy at 0K	-192.797511
Energy at 298.15K	-192.803784
HF Energy	-191.996260
Nuclear repulsion energy	117.329199

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3881	3684	34.26
2	A	3284	3117	9.44
3	A	3222	3059	2.80
4	A	3200	3038	7.45
5	A	3087	2930	35.06
6	A	3051	2896	47.25
7	A	1722	1635	0.95
8	A	1539	1462	1.73
9	A	1494	1418	14.72
10	A	1440	1367	3.77
11	A	1322	1255	0.49
12	A	1300	1234	11.92
13	A	1250	1186	52.34
14	A	1181	1121	16.03
15	A	1093	1037	88.54
16	A	1047	994	20.14
17	A	983	933	11.93
18	A	973	924	32.13
19	A	937	890	1.37
20	A	673	639	5.27
21	A	450	427	3.53
22	A	338	321	9.61
23	A	254	241	112.50
24	A	113	107	1.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.583	0.447	0.298
C2	-0.662	-0.360	0.266
C3	-1.814	0.080	-0.227
O4	1.605	-0.298	-0.349
H5	0.409	1.403	-0.196
H6	0.856	0.648	1.335
H7	-0.591	-1.352	0.682
H8	-2.701	-0.529	-0.211
H9	-1.891	1.065	-0.658
H10	2.439	0.146	-0.183

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4846	2.4813	1.4206	1.0898	1.0910	2.1831	3.4639	2.7229	1.9405
C2	1.4846		1.3281	2.3497	2.1141	2.1130	1.0779	2.1009	2.0962	3.1738
C3	2.4813	1.3281		3.4417	2.5869	3.1454	2.0910	1.0759	1.0777	4.2535
O4	1.4206	2.3497	3.4417		2.0848	2.0717	2.6455	4.3142	3.7643	0.9593
H5	1.0898	2.1141	2.5869	2.0848		1.7651	3.0599	3.6609	2.3695	2.3879
H6	1.0910	2.1130	3.1454	2.0717	1.7651		2.5539	4.0534	3.4192	2.2494
H7	2.1831	1.0779	2.0910	2.6455	3.0599	2.5539		2.4345	3.0538	3.4891
H8	3.4639	2.1009	1.0759	4.3142	3.6609	4.0534	2.4345		1.8427	5.1840
H9	2.7229	2.0962	1.0777	3.7643	2.3695	3.4192	3.0538	1.8427		4.4514
H10	1.9405	3.1738	4.2535	0.9593	2.3879	2.2494	3.4891	5.1840	4.4514

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.717	C1	C2	H7	115.935
C1	O4	H10	107.667	C2	C1	O4	107.932
C2	C1	H5	109.453	C2	C1	H6	109.294
C2	C3	H8	121.472	C2	C3	H9	120.866
C3	C2	H7	120.346	O4	C1	H5	111.616
O4	C1	H6	110.456	H5	C1	H6	108.066
H8	C3	H9	117.662

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

using model chemistry: MP2=FULL/cc-pVTZ

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/cc-pVTZ

States and conformations

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