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	hartrees
Energy at 0K	-269.277399
Energy at 298.15K	-269.287168
Nuclear repulsion energy	195.998075

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3836	3648	33.49
2	A	3754	3570	45.07
3	A	3170	3015	17.50
4	A	3157	3002	29.79
5	A	3077	2926	17.34
6	A	3072	2922	68.21
7	A	3024	2876	50.48
8	A	2997	2850	43.21
9	A	1536	1461	5.31
10	A	1530	1455	2.04
11	A	1516	1441	8.32
12	A	1485	1412	24.85
13	A	1459	1387	6.04
14	A	1417	1347	4.69
15	A	1404	1335	54.29
16	A	1315	1250	62.85
17	A	1282	1219	7.02
18	A	1273	1210	35.60
19	A	1192	1134	36.17
20	A	1133	1077	28.79
21	A	1121	1066	42.98
22	A	1089	1035	83.31
23	A	960	913	4.79
24	A	958	911	8.51
25	A	862	820	7.53
26	A	534	508	43.90
27	A	507	482	106.84
28	A	480	457	10.01
29	A	367	349	10.01
30	A	272	259	103.26
31	A	257	245	13.21
32	A	230	219	0.57
33	A	157	149	3.50

Atom	x (Å)	y (Å)	z (Å)
C1	1.788	-0.573	0.028
C2	0.459	0.055	-0.338
C3	-0.717	-0.732	0.209
O4	-1.875	-0.007	-0.159
O5	0.440	1.361	0.190
H6	-0.457	1.688	0.037
H7	-2.633	-0.382	0.300
H8	-0.614	-0.798	1.303
H9	-0.718	-1.752	-0.207
H10	0.353	0.081	-1.436
H11	1.899	-0.619	1.117
H12	1.870	-1.585	-0.381
H13	2.606	0.033	-0.372

	C1	C2	C3	O4	O5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5150	2.5160	3.7111	2.3630	3.1857	4.4334	2.7282	2.7794	2.1519	1.0952	1.0951	1.0936
C2	1.5150		1.5168	2.3414	1.4085	1.9089	3.1871	2.1381	2.1607	1.1034	2.1556	2.1645	2.1474
C3	2.5160	1.5168		1.4155	2.3914	2.4399	1.9503	1.1008	1.1016	2.1240	2.7712	2.7870	3.4584
O4	3.7111	2.3414	1.4155		2.7112	2.2185	0.9626	2.0871	2.0946	2.5693	4.0310	4.0702	4.4860
O5	2.3630	1.4085	2.3914	2.7112		0.9662	3.5344	2.6480	3.3451	2.0709	2.6291	3.3246	2.6023
H6	3.1857	1.9089	2.4399	2.2185	0.9662		3.0150	2.7945	3.4585	2.3251	3.4699	4.0375	3.5050
H7	4.4334	3.1871	1.9503	0.9626	3.5344	3.0150		2.2928	2.4088	3.4849	4.6114	4.7107	5.2980
H8	2.7282	2.1381	1.1008	2.0871	2.6480	2.7945	2.2928		1.7890	3.0348	2.5262	3.1024	3.7230
H9	2.7794	2.1607	1.1016	2.0946	3.3451	3.4585	2.4088	1.7890		2.4533	3.1441	2.5993	3.7763
H10	2.1519	1.1034	2.1240	2.5693	2.0709	2.3251	3.4849	3.0348	2.4533		3.0658	2.4882	2.4920
H11	1.0952	2.1556	2.7712	4.0310	2.6291	3.4699	4.6114	2.5262	3.1441	3.0658		1.7827	1.7722
H12	1.0951	2.1645	2.7870	4.0702	3.3246	4.0375	4.7107	3.1024	2.5993	2.4882	1.7827		1.7774
H13	1.0936	2.1474	3.4584	4.4860	2.6023	3.5050	5.2980	3.7230	3.7763	2.4920	1.7722	1.7774

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C8	C5	52.121	O1	C8	H9	72.604
O1	C8	C10	43.446	H2	O1	C8	51.315
O3	C5	H6	81.301	O3	C5	H7	31.540
O3	C5	C8	24.560	H4	O3	C5	86.852
C5	C8	H9	95.921	C5	C8	C10	42.058
H6	C5	H7	50.598	H6	C5	C8	88.472
H7	C5	C8	40.436	C8	C10	H11	48.921
C8	C10	H12	67.515	C8	C10	H13	84.084
H9	C8	C10	53.938	H11	C10	H12	35.554
H11	C10	H13	35.314	H12	C10	H13	41.818

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

using model chemistry: HSEh1PBE/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	C	-0.524
2	C	0.098
3	C	-0.098
4	O	-0.647
5	O	-0.646
6	H	0.419
7	H	0.418
8	H	0.152
9	H	0.148
10	H	0.150
11	H	0.175
12	H	0.164
13	H	0.191

	x	y	z	Total
	-1.501	-1.968	0.624	2.552
CHELPG
AIM
ESP

	x	y	z
x	6.625	-0.157	-0.147
y	-0.157	5.802	0.019
z	-0.147	0.019	5.264

<r²>	130.644
(<r²>)^1/2	11.430

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

using model chemistry: HSEh1PBE/6-31G*

States and conformations

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