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	hartrees
Energy at 0K	-269.437383
Energy at 298.15K	-269.447024
HF Energy	-269.437383
Nuclear repulsion energy	193.434667

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3742	3677	18.57
2	A	3687	3624	40.35
3	A	3084	3031	23.48
4	A	3073	3020	41.51
5	A	3058	3005	18.75
6	A	2994	2943	29.03
7	A	2964	2913	54.45
8	A	2877	2828	87.01
9	A	1479	1454	3.33
10	A	1466	1441	6.26
11	A	1460	1435	1.56
12	A	1403	1379	17.55
13	A	1385	1361	28.01
14	A	1361	1337	16.74
15	A	1346	1323	7.09
16	A	1317	1295	29.92
17	A	1261	1239	47.48
18	A	1194	1174	13.45
19	A	1135	1115	21.31
20	A	1065	1047	14.91
21	A	1047	1029	36.15
22	A	1005	988	123.85
23	A	917	901	6.69
24	A	898	882	19.17
25	A	825	811	17.65
26	A	522	513	60.55
27	A	485	477	101.20
28	A	470	462	16.40
29	A	354	348	13.95
30	A	317	312	74.51
31	A	242	238	4.59
32	A	216	212	0.33
33	A	140	138	4.41

Atom	x (Å)	y (Å)	z (Å)
O1	-0.461	1.393	-0.157
H2	0.470	1.677	-0.163
O3	1.967	-0.049	0.006
H4	2.183	-0.149	0.946
C5	0.721	-0.729	-0.242
H6	0.629	-0.776	-1.335
H7	0.741	-1.757	0.157
C8	-0.465	0.050	0.341
H9	-0.356	0.067	1.446
C10	-1.804	-0.587	-0.019
H11	-1.922	-0.637	-1.110
H12	-1.876	-1.602	0.395
H13	-2.627	0.013	0.388

	O1	H2	O3	H4	C5	H6	H7	C8	H9	C10	H11	H12	H13
O1		0.9733	2.8281	3.2534	2.4303	2.6993	3.3866	1.4329	2.0827	2.3965	2.6774	3.3584	2.6257
H2	0.9733		2.2907	2.7388	2.4204	2.7240	3.4601	1.9438	2.4217	3.2121	3.4608	4.0706	3.5590
O3	2.8281	2.2907		0.9700	1.4411	2.0291	2.1080	2.4563	2.7352	3.8087	4.0884	4.1626	4.6100
H4	3.2534	2.7388	0.9700		1.9713	2.8306	2.2990	2.7232	2.5964	4.1249	4.6169	4.3456	4.8448
C5	2.4303	2.4204	1.4411	1.9713		1.0980	1.1035	1.5331	2.1547	2.5382	2.7831	2.8123	3.4863
H6	2.6993	2.7240	2.0291	2.8306	1.0980		1.7895	2.1652	3.0691	2.7731	2.5654	3.1546	3.7681
H7	3.3866	3.4601	2.1080	2.2990	1.1035	1.7895		2.1798	2.4886	2.8068	3.1548	2.6321	3.8121
C8	1.4329	1.9438	2.4563	2.7232	1.5331	2.1652	2.1798		1.1110	1.5253	2.1677	2.1728	2.1631
H9	2.0827	2.4217	2.7352	2.5964	2.1547	3.0691	2.4886	1.1110		2.1610	3.0793	2.4901	2.5060
C10	2.3965	3.2121	3.8087	4.1249	2.5382	2.7731	2.8068	1.5253	2.1610		1.0985	1.0990	1.0969
H11	2.6774	3.4608	4.0884	4.6169	2.7831	2.5654	3.1548	2.1677	3.0793	1.0985		1.7882	1.7787
H12	3.3584	4.0706	4.1626	4.3456	2.8123	3.1546	2.6321	2.1728	2.4901	1.0990	1.7882		1.7816
H13	2.6257	3.5590	4.6100	4.8448	3.4863	3.7681	3.8121	2.1631	2.5060	1.0969	1.7787	1.7816

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C8	C5	110.234	O1	C8	H9	109.092
O1	C8	C10	108.439	H2	O1	C8	106.585
O3	C5	H6	105.364	O3	C5	H7	110.946
O3	C5	C8	111.510	H4	O3	C5	108.377
C5	C8	H9	107.836	C5	C8	C10	112.410
H6	C5	H7	108.503	H6	C5	C8	109.470
H7	C5	C8	110.854	C8	C10	H11	110.244
C8	C10	H12	111.020	C8	C10	H13	110.090
H9	C8	C10	108.773	H11	C10	H12	108.917
H11	C10	H13	108.110	H12	C10	H13	108.387

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

using model chemistry: B97D3/6-31+G**

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	-0.484
2	H	0.355
3	O	-0.533
4	H	0.348
5	C	-0.240
6	H	0.161
7	H	0.136
8	C	0.157
9	H	0.116
10	C	-0.502
11	H	0.165
12	H	0.148
13	H	0.173

	x	y	z	Total
	0.344	-1.876	1.601	2.490
CHELPG
AIM
ESP

	x	y	z
x	7.888	0.168	0.140
y	0.168	7.161	-0.030
z	0.140	-0.030	6.681

<r²>	134.999
(<r²>)^1/2	11.619

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

using model chemistry: B97D3/6-31+G**

States and conformations

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