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	hartrees
Energy at 0K	-268.004627
Energy at 298.15K	-268.014676
Nuclear repulsion energy	196.349039

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4173	3778	47.23
2	A	4155	3762	67.42
3	A	3256	2948	33.58
4	A	3244	2937	75.82
5	A	3234	2929	4.83
6	A	3175	2875	38.01
7	A	3162	2863	34.95
8	A	3086	2795	78.76
9	A	1625	1471	2.39
10	A	1619	1466	1.37
11	A	1607	1455	7.06
12	A	1580	1431	14.75
13	A	1544	1398	36.19
14	A	1516	1373	4.65
15	A	1509	1367	28.07
16	A	1473	1333	52.37
17	A	1399	1267	70.49
18	A	1329	1203	20.92
19	A	1286	1164	24.67
20	A	1194	1081	67.87
21	A	1175	1064	8.48
22	A	1142	1034	97.10
23	A	1018	921	4.93
24	A	1001	906	16.67
25	A	911	825	10.97
26	A	563	510	24.33
27	A	516	467	41.03
28	A	480	435	122.86
29	A	387	351	16.82
30	A	328	297	75.52
31	A	270	244	3.88
32	A	239	216	0.51
33	A	159	144	2.79

Atom	x (Å)	y (Å)	z (Å)
O1	-0.459	1.365	-0.159
H2	0.427	1.685	-0.149
O3	1.936	-0.047	0.015
H4	2.169	-0.158	0.919
C5	0.726	-0.711	-0.246
H6	0.631	-0.758	-1.325
H7	0.746	-1.730	0.138
C8	-0.454	0.057	0.333
H9	-0.342	0.074	1.422
C10	-1.786	-0.585	-0.012
H11	-1.914	-0.634	-1.089
H12	-1.852	-1.590	0.395
H13	-2.598	0.005	0.397

	O1	H2	O3	H4	C5	H6	H7	C8	H9	C10	H11	H12	H13
O1		0.9422	2.7855	3.2230	2.3921	2.6560	3.3339	1.3977	2.0444	2.3627	2.6416	3.3129	2.5945
H2	0.9422		2.3031	2.7521	2.4170	2.7190	3.4417	1.9132	2.3783	3.1729	3.4269	4.0266	3.5027
O3	2.7855	2.3031		0.9406	1.4044	2.0004	2.0648	2.4129	2.6806	3.7605	4.0479	4.1076	4.5501
H4	3.2230	2.7521	0.9406		1.9349	2.7855	2.2594	2.6956	2.5715	4.0851	4.5749	4.3000	4.7979
C5	2.3921	2.4170	1.4044	1.9349		1.0842	1.0886	1.5222	2.1309	2.5261	2.7728	2.7981	3.4607
H6	2.6560	2.7190	2.0004	2.7855	1.0842		1.7600	2.1426	3.0310	2.7561	2.5594	3.1330	3.7384
H7	3.3339	3.4417	2.0648	2.2594	1.0886	1.7600		2.1603	2.4669	2.7823	3.1272	2.6139	3.7756
C8	1.3977	1.9132	2.4129	2.6956	1.5222	2.1426	2.1603		1.0946	1.5184	2.1526	2.1609	2.1458
H9	2.0444	2.3783	2.6806	2.5715	2.1309	3.0310	2.4669	1.0946		2.1389	3.0461	2.4704	2.4785
C10	2.3627	3.1729	3.7605	4.0851	2.5261	2.7561	2.7823	1.5184	2.1389		1.0856	1.0862	1.0840
H11	2.6416	3.4269	4.0479	4.5749	2.7728	2.5594	3.1272	2.1526	3.0461	1.0856		1.7658	1.7565
H12	3.3129	4.0266	4.1076	4.3000	2.7981	3.1330	2.6139	2.1609	2.4704	1.0862	1.7658		1.7608
H13	2.5945	3.5027	4.5501	4.7979	3.4607	3.7384	3.7756	2.1458	2.4785	1.0840	1.7565	1.7608

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C8	C5	109.942	O1	C8	H9	109.627
O1	C8	C10	108.163	H2	O1	C8	108.115
O3	C5	H6	106.286	O3	C5	H7	111.210
O3	C5	C8	111.004	H4	O3	C5	109.615
C5	C8	H9	107.922	C5	C8	C10	112.358
H6	C5	H7	108.197	H6	C5	C8	109.426
H7	C5	C8	110.574	C8	C10	H11	110.405
C8	C10	H12	111.038	C8	C10	H13	109.958
H9	C8	C10	108.801	H11	C10	H12	108.793
H11	C10	H13	108.110	H12	C10	H13	108.461

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

using model chemistry: HF/6-31G(2df,p)

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	0.337
3	O	-0.585
4	H	0.329
5	C	-0.007
6	H	0.143
7	H	0.114
8	C	0.183
9	H	0.083
10	C	-0.428
11	H	0.144
12	H	0.128
13	H	0.152

	x	y	z	Total
	0.514	-1.611	1.547	2.292
CHELPG
AIM
ESP

	x	y	z
x	6.270	0.224	0.150
y	0.224	5.688	-0.052
z	0.150	-0.052	5.466

<r²>	131.409
(<r²>)^1/2	11.463

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

using model chemistry: HF/6-31G(2df,p)

States and conformations

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