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	hartrees
Energy at 0K	-192.635398
Energy at 298.15K	-192.641656
HF Energy	-191.941520
Nuclear repulsion energy	116.862501

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3886	3670	30.40
2	A	3310	3126	7.09
3	A	3234	3054	3.75
4	A	3210	3032	3.96
5	A	3096	2924	39.80
6	A	3046	2877	43.59
7	A	1715	1620	0.42
8	A	1544	1458	1.45
9	A	1493	1410	13.86
10	A	1440	1360	5.42
11	A	1321	1248	0.98
12	A	1292	1220	19.93
13	A	1256	1187	47.80
14	A	1176	1111	14.95
15	A	1102	1040	76.72
16	A	1046	988	17.76
17	A	982	928	5.23
18	A	962	909	30.54
19	A	932	880	2.04
20	A	664	628	4.06
21	A	448	423	3.70
22	A	331	312	9.30
23	A	267	252	114.10
24	A	114	108	1.32

Atom	x (Å)	y (Å)	z (Å)
O1	1.614	-0.310	-0.329
H2	2.436	0.164	-0.185
C3	0.587	0.461	0.278
H4	0.845	0.701	1.319
H5	0.421	1.407	-0.251
C6	-0.659	-0.360	0.254
H7	-0.564	-1.361	0.664
C8	-1.828	0.074	-0.214
H9	-1.935	1.066	-0.638
H10	-2.716	-0.543	-0.186

	O1	H2	C3	H4	H5	C6	H7	C8	H9	H10
O1		0.9599	1.4201	2.0810	2.0925	2.3465	2.6142	3.4651	3.8182	4.3383
H2	0.9599		1.9289	2.2546	2.3690	3.1692	3.4707	4.2652	4.4858	5.2003
C3	1.4201	1.9289		1.0987	1.0973	1.4925	2.1895	2.4954	2.7507	3.4838
H4	2.0810	2.2546	1.0987		1.7731	2.1264	2.5819	3.1446	3.4189	4.0614
H5	2.0925	2.3690	1.0973	1.7731		2.1322	3.0778	2.6149	2.4116	3.6946
C6	2.3465	3.1692	1.4925	2.1264	2.1322		1.0855	1.3327	2.1114	2.1120
H7	2.6142	3.4707	2.1895	2.5819	3.0778	1.0855		2.1046	3.0763	2.4544
C8	3.4651	4.2652	2.4954	3.1446	2.6149	1.3327	2.1046		1.0836	1.0818
H9	3.8182	4.4858	2.7507	3.4189	2.4116	2.1114	3.0763	1.0836		1.8447
H10	4.3383	5.2003	3.4838	4.0614	3.6946	2.1120	2.4544	1.0818	1.8447

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	44.851	C1	C2	H7	22.999
C1	O4	H10	83.190	C2	C1	O4	87.580
C2	C1	H5	94.458	C2	C1	H6	143.406
C2	C3	H8	148.916	C2	C3	H9	146.365
C3	C2	H7	34.964	O4	C1	H5	50.282
O4	C1	H6	57.028	H5	C1	H6	57.070
H8	C3	H9	23.187

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

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

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