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	hartrees
Energy at 0K	-192.562283
Energy at 298.15K	-192.568540
HF Energy	-191.937885
Nuclear repulsion energy	116.605427

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3875	3639	28.95
2	A	3337	3134	11.89
3	A	3257	3059	5.43
4	A	3233	3037	8.39
5	A	3139	2949	35.85
6	A	3083	2896	50.28
7	A	1731	1626	0.44
8	A	1563	1468	1.41
9	A	1508	1416	16.07
10	A	1446	1358	7.94
11	A	1336	1255	0.12
12	A	1299	1220	10.87
13	A	1242	1167	51.04
14	A	1187	1115	25.95
15	A	1071	1006	91.69
16	A	1030	967	32.01
17	A	985	925	6.80
18	A	945	888	5.53
19	A	941	884	38.38
20	A	664	623	5.59
21	A	448	421	3.63
22	A	345	324	12.83
23	A	264	248	142.35
24	A	113	106	2.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.585	0.452	0.311
C2	-0.666	-0.361	0.281
C3	-1.819	0.080	-0.237
O4	1.606	-0.300	-0.361
H5	0.418	1.413	-0.184
H6	0.880	0.644	1.347
H7	-0.600	-1.353	0.712
H8	-2.711	-0.528	-0.227
H9	-1.895	1.063	-0.683
H10	2.456	0.130	-0.203

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.4915	2.4930	1.4352	1.0934	1.0944	2.1955	3.4802	2.7401	1.9670
C2	1.4915		1.3387	2.3613	2.1297	2.1297	1.0835	2.1141	2.1133	3.1966
C3	2.4930	1.3387		3.4482	2.6043	3.1797	2.1070	1.0800	1.0818	4.2753
O4	1.4352	2.3613	3.4482		2.0919	2.0819	2.6690	4.3252	3.7704	0.9655
H5	1.0934	2.1297	2.6043	2.0919		1.7741	3.0799	3.6825	2.3918	2.4083
H6	1.0944	2.1297	3.1797	2.0819	1.7741		2.5652	4.0924	3.4635	2.2688
H7	2.1955	1.0835	2.1070	2.6690	3.0799	2.5652		2.4533	3.0752	3.5170
H8	3.4802	2.1141	1.0800	4.3252	3.6825	4.0924	2.4533		1.8454	5.2088
H9	2.7401	2.1133	1.0818	3.7704	2.3918	3.4635	3.0752	1.8454		4.4755
H10	1.9670	3.1966	4.2753	0.9655	2.4083	2.2688	3.5170	5.2088	4.4755

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	123.394	C1	C2	H7	116.090
C1	O4	H10	108.450	C2	C1	O4	107.556
C2	C1	H5	109.998	C2	C1	H6	109.943
C2	C3	H8	121.501	C2	C3	H9	121.271
C3	C2	H7	120.516	O4	C1	H5	110.925
O4	C1	H6	110.053	H5	C1	H6	108.366
H8	C3	H9	117.227

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-31+G**

States and conformations

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