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	hartrees
Energy at 0K	-269.231173
Energy at 298.15K	-269.240971
Nuclear repulsion energy	194.231941

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3615	3563	8.70
2	A	3524	3473	43.53
3	A	3078	3034	17.65
4	A	3069	3025	29.32
5	A	3043	2999	24.05
6	A	2992	2949	18.23
7	A	2951	2909	52.40
8	A	2830	2789	91.35
9	A	1484	1463	1.76
10	A	1470	1449	4.22
11	A	1465	1444	5.44
12	A	1425	1404	46.28
13	A	1387	1367	45.23
14	A	1372	1352	9.56
15	A	1350	1331	5.50
16	A	1328	1309	50.30
17	A	1276	1258	28.89
18	A	1199	1182	14.55
19	A	1151	1134	22.44
20	A	1071	1056	21.43
21	A	1064	1049	13.26
22	A	1022	1008	106.37
23	A	922	909	5.60
24	A	903	890	15.07
25	A	835	823	11.95
26	A	592	584	145.85
27	A	519	511	5.64
28	A	473	466	9.05
29	A	367	362	75.97
30	A	350	345	7.68
31	A	247	243	2.48
32	A	223	220	0.22
33	A	157	155	4.34

Atom	x (Å)	y (Å)	z (Å)
O1	-0.387	1.381	-0.156
H2	0.583	1.554	-0.188
O3	1.940	-0.058	-0.011
H4	2.121	-0.088	0.952
C5	0.703	-0.763	-0.216
H6	0.599	-0.852	-1.311
H7	0.735	-1.783	0.218
C8	-0.470	0.051	0.346
H9	-0.377	0.052	1.462
C10	-1.827	-0.530	-0.032
H11	-1.931	-0.576	-1.129
H12	-1.956	-1.545	0.383
H13	-2.635	0.110	0.360

	O1	H2	O3	H4	C5	H6	H7	C8	H9	C10	H11	H12	H13
O1		0.9858	2.7393	3.1103	2.4055	2.6997	3.3774	1.4243	2.0935	2.3961	2.6760	3.3632	2.6333
H2	0.9858		2.1145	2.5225	2.3206	2.6550	3.3654	1.9122	2.4291	3.1905	3.4271	4.0468	3.5695
O3	2.7393	2.1145		0.9801	1.4387	2.0296	2.1168	2.4387	2.7471	3.7968	4.0623	4.1883	4.5925
H4	3.1103	2.5225	0.9801		1.9573	2.8322	2.3091	2.6645	2.5530	4.0929	4.5811	4.3663	4.7962
C5	2.4055	2.3206	1.4387	1.9573		1.1035	1.1091	1.5343	2.1553	2.5476	2.7937	2.8352	3.4975
H6	2.6997	2.6550	2.0296	2.8322	1.1035		1.7960	2.1688	3.0753	2.7618	2.5513	3.1429	3.7648
H7	3.3774	3.3654	2.1168	2.3091	1.1091	1.7960		2.1977	2.4797	2.8631	3.2214	2.7061	3.8672
C8	1.4243	1.9122	2.4387	2.6645	1.5343	2.1688	2.1977		1.1194	1.5238	2.1688	2.1803	2.1653
H9	2.0935	2.4291	2.7471	2.5530	2.1553	3.0753	2.4797	1.1194		2.1618	3.0860	2.4914	2.5128
C10	2.3961	3.1905	3.7968	4.0929	2.5476	2.7618	2.8631	1.5238	2.1618		1.1034	1.1038	1.1020
H11	2.6760	3.4271	4.0623	4.5811	2.7937	2.5513	3.2214	2.1688	3.0860	1.1034		1.7959	1.7845
H12	3.3632	4.0468	4.1883	4.3663	2.8352	3.1429	2.7061	2.1803	2.4914	1.1038	1.7959		1.7885
H13	2.6333	3.5695	4.5925	4.7962	3.4975	3.7648	3.8672	2.1653	2.5128	1.1020	1.7845	1.7885

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C8	C5	108.734	O1	C8	H9	110.202
O1	C8	C10	108.688	H2	O1	C8	103.505
O3	C5	H6	105.187	O3	C5	H7	111.722
O3	C5	C8	110.183	H4	O3	C5	106.495
C5	C8	H9	107.592	C5	C8	C10	112.830
H6	C5	H7	108.526	H6	C5	C8	109.531
H7	C5	C8	111.472	C8	C10	H11	110.259
C8	C10	H12	111.144	C8	C10	H13	110.064
H9	C8	C10	108.783	H11	C10	H12	108.912
H11	C10	H13	108.027	H12	C10	H13	108.355

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

using model chemistry: PBEPBE/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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Number	Element	Mulliken
1	O	-0.594
2	H	0.387
3	O	-0.580
4	H	0.389
5	C	-0.115
6	H	0.170
7	H	0.138
8	C	0.090
9	H	0.108
10	C	-0.490
11	H	0.167
12	H	0.152
13	H	0.178

	x	y	z	Total
	0.551	-1.604	1.468	2.243
CHELPG
AIM
ESP

	x	y	z
x	6.805	0.212	0.171
y	0.212	6.076	-0.115
z	0.171	-0.115	5.730

<r²>	132.804
(<r²>)^1/2	11.524

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

using model chemistry: PBEPBE/6-31G*

States and conformations

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