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	hartrees
Energy at 0K	-268.051012
Energy at 298.15K	-268.061099
Nuclear repulsion energy	196.243072

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4174	3792	50.45
2	A	4156	3776	74.22
3	A	3249	2952	64.27
4	A	3246	2949	39.31
5	A	3229	2934	26.47
6	A	3172	2882	65.79
7	A	3164	2874	12.34
8	A	3096	2812	82.86
9	A	1627	1478	3.12
10	A	1618	1470	1.48
11	A	1606	1459	8.35
12	A	1582	1437	13.13
13	A	1546	1405	38.13
14	A	1517	1378	3.13
15	A	1508	1370	29.92
16	A	1472	1337	45.80
17	A	1401	1273	74.66
18	A	1330	1208	24.20
19	A	1283	1165	22.71
20	A	1193	1084	71.48
21	A	1174	1067	4.94
22	A	1147	1042	105.92
23	A	1020	927	6.24
24	A	1004	912	18.56
25	A	914	831	13.13
26	A	566	514	30.85
27	A	521	473	46.61
28	A	485	441	130.41
29	A	389	354	16.27
30	A	332	302	85.76
31	A	271	246	5.51
32	A	240	218	0.58
33	A	160	145	3.58

Atom	x (Å)	y (Å)	z (Å)
O1	-0.466	1.364	-0.160
H2	0.416	1.697	-0.138
O3	1.938	-0.044	0.020
H4	2.176	-0.177	0.920
C5	0.727	-0.708	-0.253
H6	0.637	-0.742	-1.332
H7	0.748	-1.729	0.122
C8	-0.453	0.053	0.332
H9	-0.337	0.073	1.419
C10	-1.784	-0.588	-0.009
H11	-1.917	-0.634	-1.086
H12	-1.850	-1.594	0.396
H13	-2.594	0.002	0.405

	O1	H2	O3	H4	C5	H6	H7	C8	H9	C10	H11	H12	H13
O1		0.9422	2.7915	3.2432	2.3926	2.6507	3.3348	1.4010	2.0440	2.3613	2.6380	3.3137	2.5895
H2	0.9422		2.3181	2.7802	2.4276	2.7245	3.4518	1.9180	2.3726	3.1750	3.4315	4.0314	3.4966
O3	2.7915	2.3181		0.9407	1.4077	2.0015	2.0651	2.4128	2.6733	3.7622	4.0536	4.1103	4.5485
H4	3.2432	2.7802	0.9407		1.9383	2.7852	2.2544	2.7031	2.5737	4.0885	4.5807	4.3000	4.8008
C5	2.3926	2.4276	1.4077	1.9383		1.0831	1.0881	1.5204	2.1301	2.5261	2.7730	2.8015	3.4590
H6	2.6507	2.7245	2.0015	2.7852	1.0831		1.7609	2.1417	3.0300	2.7637	2.5684	3.1461	3.7428
H7	3.3348	3.4518	2.0651	2.2544	1.0881	1.7609		2.1586	2.4709	2.7807	3.1242	2.6160	3.7743
C8	1.4010	1.9180	2.4128	2.7031	1.5204	2.1417	2.1586		1.0936	1.5170	2.1508	2.1610	2.1433
H9	2.0440	2.3726	2.6733	2.5737	2.1301	3.0300	2.4709	1.0936		2.1385	3.0449	2.4733	2.4758
C10	2.3613	3.1750	3.7622	4.0885	2.5261	2.7637	2.7807	1.5170	2.1385		1.0856	1.0864	1.0838
H11	2.6380	3.4315	4.0536	4.5807	2.7730	2.5684	3.1242	2.1508	3.0449	1.0856		1.7666	1.7559
H12	3.3137	4.0314	4.1103	4.3000	2.8015	3.1461	2.6160	2.1610	2.4733	1.0864	1.7666		1.7611
H13	2.5895	3.4966	4.5485	4.8008	3.4590	3.7428	3.7743	2.1433	2.4758	1.0838	1.7559	1.7611

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C8	C5	109.901	O1	C8	H9	109.429
O1	C8	C10	107.980	H2	O1	C8	108.289
O3	C5	H6	106.214	O3	C5	H7	111.028
O3	C5	C8	110.917	H4	O3	C5	109.647
C5	C8	H9	108.037	C5	C8	C10	112.541
H6	C5	H7	108.399	H6	C5	C8	109.553
H7	C5	C8	110.596	C8	C10	H11	110.361
C8	C10	H12	111.132	C8	C10	H13	109.871
H9	C8	C10	108.918	H11	C10	H12	108.846
H11	C10	H13	108.072	H12	C10	H13	108.483

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

using model chemistry: HF/6-311G**

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	-0.482
2	H	0.258
3	O	-0.487
4	H	0.245
5	C	0.100
6	H	0.095
7	H	0.075
8	C	0.085
9	H	0.055
10	C	-0.231
11	H	0.096
12	H	0.081
13	H	0.108

	x	y	z	Total
	0.504	-1.777	1.663	2.486
CHELPG
AIM
ESP

	x	y	z
x	6.327	0.246	0.160
y	0.246	5.715	-0.046
z	0.160	-0.046	5.553

<r²>	131.795
(<r²>)^1/2	11.480

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

using model chemistry: HF/6-311G**

States and conformations

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