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	hartrees
Energy at 0K	-267.965189
Energy at 298.15K	-267.975257
HF Energy	-267.965189
Nuclear repulsion energy	196.186922

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4103	3687	44.25
2	A	4085	3670	69.95
3	A	3293	2959	56.54
4	A	3290	2956	38.01
5	A	3273	2941	26.84
6	A	3214	2887	59.67
7	A	3205	2880	19.05
8	A	3133	2815	87.22
9	A	1652	1484	2.23
10	A	1646	1479	1.37
11	A	1634	1468	5.57
12	A	1602	1440	14.68
13	A	1567	1408	30.96
14	A	1536	1380	9.99
15	A	1523	1368	35.90
16	A	1489	1338	52.80
17	A	1412	1269	80.77
18	A	1341	1205	23.82
19	A	1293	1162	19.61
20	A	1199	1077	72.68
21	A	1182	1062	4.92
22	A	1153	1036	108.44
23	A	1030	925	4.74
24	A	1010	908	20.13
25	A	921	828	12.16
26	A	567	509	35.45
27	A	523	470	68.54
28	A	493	443	124.64
29	A	390	350	17.77
30	A	333	299	85.36
31	A	271	244	4.72
32	A	244	219	0.51
33	A	161	145	3.45

Atom	x (Å)	y (Å)	z (Å)
O1	-0.456	1.363	-0.160
H2	0.437	1.686	-0.142
O3	1.935	-0.043	0.016
H4	2.185	-0.183	0.919
C5	0.724	-0.714	-0.249
H6	0.632	-0.753	-1.326
H7	0.751	-1.732	0.130
C8	-0.454	0.053	0.335
H9	-0.341	0.072	1.422
C10	-1.790	-0.581	-0.012
H11	-1.917	-0.627	-1.088
H12	-1.864	-1.586	0.393
H13	-2.598	0.014	0.397

	O1	H2	O3	H4	C5	H6	H7	C8	H9	C10	H11	H12	H13
O1		0.9493	2.7795	3.2446	2.3903	2.6504	3.3353	1.4011	2.0451	2.3620	2.6377	3.3141	2.5918
H2	0.9493		2.2939	2.7703	2.4195	2.7192	3.4439	1.9208	2.3782	3.1798	3.4332	4.0352	3.5061
O3	2.7795	2.2939		0.9474	1.4089	2.0006	2.0656	2.4121	2.6782	3.7631	4.0496	4.1172	4.5489
H4	3.2446	2.7703	0.9474		1.9441	2.7889	2.2539	2.7129	2.5885	4.1013	4.5886	4.3172	4.8149
C5	2.3903	2.4195	1.4089	1.9441		1.0821	1.0872	1.5218	2.1318	2.5283	2.7731	2.8054	3.4613
H6	2.6504	2.7192	2.0006	2.7889	1.0821		1.7586	2.1423	3.0302	2.7607	2.5637	3.1428	3.7403
H7	3.3353	3.4439	2.0656	2.2539	1.0872	1.7586		2.1634	2.4738	2.7932	3.1350	2.6324	3.7862
C8	1.4011	1.9208	2.4121	2.7129	1.5218	2.1423	2.1634		1.0928	1.5183	2.1516	2.1621	2.1449
H9	2.0451	2.3782	2.6782	2.5885	2.1318	3.0302	2.4738	1.0928		2.1399	3.0453	2.4750	2.4787
C10	2.3620	3.1798	3.7631	4.1013	2.5283	2.7607	2.7932	1.5183	2.1399		1.0849	1.0859	1.0834
H11	2.6377	3.4332	4.0496	4.5886	2.7731	2.5637	3.1350	2.1516	3.0453	1.0849		1.7651	1.7549
H12	3.3141	4.0352	4.1172	4.3172	2.8054	3.1428	2.6324	2.1621	2.4750	1.0859	1.7651		1.7597
H13	2.5918	3.5061	4.5489	4.8149	3.4613	3.7403	3.7862	2.1449	2.4787	1.0834	1.7549	1.7597

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C8	C5	109.658	O1	C8	H9	109.561
O1	C8	C10	107.943	H2	O1	C8	108.076
O3	C5	H6	106.119	O3	C5	H7	111.032
O3	C5	C8	110.717	H4	O3	C5	109.627
C5	C8	H9	108.118	C5	C8	C10	112.539
H6	C5	H7	108.325	H6	C5	C8	109.561
H7	C5	C8	110.935	C8	C10	H11	110.379
C8	C10	H12	111.164	C8	C10	H13	109.933
H9	C8	C10	108.994	H11	C10	H12	108.798
H11	C10	H13	108.059	H12	C10	H13	108.428

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

using model chemistry: HF/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	-0.754
2	H	0.456
3	O	-0.753
4	H	0.441
5	C	-0.016
6	H	0.182
7	H	0.147
8	C	0.155
9	H	0.128
10	C	-0.495
11	H	0.173
12	H	0.153
13	H	0.186

	x	y	z	Total
	0.550	-1.837	1.692	2.557
CHELPG	0.524	-1.819	1.676	2.529
AIM
ESP	0.527	-1.831	1.681	2.541

	x	y	z
x	5.862	0.235	0.179
y	0.235	5.369	-0.100
z	0.179	-0.100	5.218

<r²>	131.726
(<r²>)^1/2	11.477

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

using model chemistry: HF/6-31G*

States and conformations

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