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	hartrees
Energy at 0K	-268.756376
Energy at 298.15K	-268.766307
HF Energy	-267.962537
Nuclear repulsion energy	194.875364

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3778	3576	20.43
2	A	3757	3556	43.70
3	A	3177	3007	17.50
4	A	3165	2996	32.12
5	A	3150	2982	16.87
6	A	3084	2919	17.51
7	A	3066	2902	34.81
8	A	2987	2827	66.50
9	A	1554	1471	2.41
10	A	1551	1468	2.04
11	A	1540	1458	6.35
12	A	1510	1429	27.12
13	A	1463	1385	31.13
14	A	1438	1361	22.16
15	A	1434	1357	12.21
16	A	1395	1321	47.97
17	A	1338	1267	49.06
18	A	1266	1198	16.59
19	A	1224	1158	14.62
20	A	1132	1072	32.07
21	A	1123	1063	9.84
22	A	1093	1034	106.60
23	A	979	926	2.24
24	A	953	902	18.37
25	A	881	834	11.83
26	A	552	522	109.53
27	A	523	495	89.57
28	A	493	467	5.16
29	A	373	353	19.39
30	A	337	319	76.49
31	A	261	247	3.35
32	A	235	223	0.44
33	A	161	153	3.48

Atom	x (Å)	y (Å)	z (Å)
O1	-0.433	1.374	-0.159
H2	0.504	1.638	-0.155
O3	1.942	-0.046	0.009
H4	2.157	-0.166	0.949
C5	0.712	-0.733	-0.245
H6	0.613	-0.768	-1.335
H7	0.741	-1.764	0.138
C8	-0.459	0.044	0.343
H9	-0.346	0.056	1.444
C10	-1.805	-0.561	-0.017
H11	-1.919	-0.593	-1.106
H12	-1.901	-1.577	0.384
H13	-2.611	0.055	0.394

	O1	H2	O3	H4	C5	H6	H7	C8	H9	C10	H11	H12	H13
O1		0.9735	2.7728	3.2105	2.3994	2.6581	3.3638	1.4216	2.0768	2.3756	2.6406	3.3403	2.6047
H2	0.9735		2.2209	2.6841	2.3814	2.6816	3.4228	1.9274	2.4045	3.1907	3.4276	4.0508	3.5361
O3	2.7728	2.2209		0.9710	1.4317	2.0237	2.1002	2.4261	2.7032	3.7821	4.0561	4.1538	4.5702
H4	3.2105	2.6841	0.9710		1.9583	2.8219	2.2845	2.6937	2.5618	4.0968	4.5847	4.3336	4.8050
C5	2.3994	2.3814	1.4317	1.9583		1.0953	1.1004	1.5231	2.1436	2.5326	2.7718	2.8169	3.4739
H6	2.6581	2.6816	2.0237	2.8219	1.0953		1.7826	2.1502	3.0534	2.7613	2.5481	3.1509	3.7494
H7	3.3638	3.4228	2.1002	2.2845	1.1004	1.7826		2.1799	2.4907	2.8199	3.1614	2.6599	3.8223
C8	1.4216	1.9274	2.4261	2.6937	1.5231	2.1502	2.1799		1.1072	1.5183	2.1531	2.1700	2.1521
H9	2.0768	2.4045	2.7032	2.5618	2.1436	3.0534	2.4907	1.1072		2.1543	3.0656	2.4919	2.4958
C10	2.3756	3.1907	3.7821	4.0968	2.5326	2.7613	2.8199	1.5183	2.1543		1.0959	1.0968	1.0946
H11	2.6406	3.4276	4.0561	4.5847	2.7718	2.5481	3.1614	2.1531	3.0656	1.0959		1.7859	1.7746
H12	3.3403	4.0508	4.1538	4.3336	2.8169	3.1509	2.6599	2.1700	2.4919	1.0968	1.7859		1.7803
H13	2.6047	3.5361	4.5702	4.8050	3.4739	3.7494	3.8223	2.1521	2.4958	1.0946	1.7746	1.7803

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C8	C5	109.092	O1	C8	H9	109.797
O1	C8	C10	107.772	H2	O1	C8	105.649
O3	C5	H6	105.648	O3	C5	H7	111.411
O3	C5	C8	110.348	H4	O3	C5	107.635
C5	C8	H9	108.126	C5	C8	C10	112.757
H6	C5	H7	108.558	H6	C5	C8	109.317
H7	C5	C8	111.364	C8	C10	H11	109.844
C8	C10	H12	111.137	C8	C10	H13	109.844
H9	C8	C10	109.278	H11	C10	H12	109.071
H11	C10	H13	108.216	H12	C10	H13	108.668

All results from a given calculation for C₃H₈O₂ (Propylene glycol)

using model chemistry: CCD/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 C3H8O2 (Propylene glycol)

using model chemistry: CCD/6-31G*

States and conformations

All results from a given calculation for C₃H₈O₂ (Propylene glycol)