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	hartrees
Energy at 0K	-192.234274
Energy at 298.15K	-192.240491
HF Energy	-191.836303
Nuclear repulsion energy	114.770420

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3637	3455	5.16
2	A	3264	3101	23.09
3	A	3198	3039	6.31
4	A	3167	3009	12.14
5	A	3066	2913	56.38
6	A	3019	2868	47.31
7	A	1704	1619	0.41
8	A	1585	1506	0.93
9	A	1521	1445	7.86
10	A	1460	1387	7.21
11	A	1357	1289	0.01
12	A	1290	1225	22.64
13	A	1248	1185	34.80
14	A	1177	1118	19.14
15	A	1038	987	19.77
16	A	1014	963	7.63
17	A	985	936	80.60
18	A	953	906	40.95
19	A	934	888	0.87
20	A	656	623	4.38
21	A	451	429	4.30
22	A	330	313	14.10
23	A	267	254	177.39
24	A	103	98	1.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.576	0.490	0.279
C2	-0.671	-0.354	0.269
C3	-1.859	0.059	-0.224
O4	1.656	-0.329	-0.316
H5	0.418	1.413	-0.303
H6	0.846	0.776	1.310
H7	-0.564	-1.348	0.707
H8	-2.745	-0.573	-0.193
H9	-1.982	1.042	-0.680
H10	2.508	0.152	-0.261

	C1	C2	C3	O4	H5	H6	H7	H8	H9	H10
C1		1.5063	2.5241	1.4803	1.1026	1.1033	2.2047	3.5190	2.7871	2.0347
C2	1.5063		1.3512	2.3994	2.1533	2.1593	1.0911	2.1359	2.1376	3.2628
C3	2.5241	1.3512		3.5375	2.6508	3.1921	2.1270	1.0884	1.0910	4.3687
O4	1.4803	2.3994	3.5375		2.1374	2.1262	2.6476	4.4091	3.9045	0.9803
H5	1.1026	2.1533	2.6508	2.1374		1.7866	3.0994	3.7365	2.4573	2.4419
H6	1.1033	2.1593	3.1921	2.1262	1.7866		2.6193	4.1202	3.4685	2.3710
H7	2.2047	1.0911	2.1270	2.6476	3.0994	2.6193		2.4835	3.1061	3.5528
H8	3.5190	2.1359	1.0884	4.4091	3.7365	4.1202	2.4835		1.8520	5.3033
H9	2.7871	2.1376	1.0910	3.9045	2.4573	3.4685	3.1061	1.8520		4.5966
H10	2.0347	3.2628	4.3687	0.9803	2.4419	2.3710	3.5528	5.3033	4.5966

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	124.006	C1	C2	H7	115.233
C1	O4	H10	109.894	C2	C1	O4	106.907
C2	C1	H5	110.301	C2	C1	H6	110.731
C2	C3	H8	121.841	C2	C3	H9	121.789
C3	C2	H7	120.758	O4	C1	H5	110.842
O4	C1	H6	109.902	H5	C1	H6	108.172
H8	C3	H9	116.370

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

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

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/6-31G

States and conformations

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