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	hartrees
Energy at 0K	-269.262477
Energy at 298.15K	-269.272231
Nuclear repulsion energy	194.497770

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3694	3656	14.00
2	A	3603	3566	49.16
3	A	3070	3038	15.46
4	A	3062	3031	24.16
5	A	3020	2989	24.23
6	A	2981	2950	16.78
7	A	2936	2905	47.58
8	A	2820	2791	80.26
9	A	1452	1437	1.03
10	A	1438	1423	4.54
11	A	1435	1420	10.20
12	A	1403	1389	44.48
13	A	1368	1354	45.74
14	A	1347	1333	1.92
15	A	1330	1316	3.01
16	A	1311	1297	45.11
17	A	1261	1248	22.78
18	A	1186	1173	13.23
19	A	1141	1130	26.71
20	A	1061	1050	19.64
21	A	1058	1047	8.97
22	A	1016	1006	104.66
23	A	910	901	5.27
24	A	892	883	13.31
25	A	827	818	11.02
26	A	574	568	116.27
27	A	513	508	5.44
28	A	465	460	7.72
29	A	359	356	64.99
30	A	347	343	10.40
31	A	247	245	1.98
32	A	211	209	0.22
33	A	152	151	3.70

Atom	x (Å)	y (Å)	z (Å)
O1	-0.385	1.381	-0.155
H2	0.578	1.551	-0.200
O3	1.938	-0.060	-0.015
H4	2.118	-0.070	0.941
C5	0.703	-0.764	-0.208
H6	0.593	-0.867	-1.302
H7	0.732	-1.778	0.238
C8	-0.470	0.054	0.347
H9	-0.382	0.056	1.462
C10	-1.825	-0.530	-0.035
H11	-1.924	-0.578	-1.132
H12	-1.949	-1.544	0.378
H13	-2.635	0.105	0.354

	O1	H2	O3	H4	C5	H6	H7	C8	H9	C10	H11	H12	H13
O1		0.9782	2.7369	3.0932	2.4058	2.7072	3.3736	1.4214	2.0902	2.3960	2.6767	3.3601	2.6369
H2	0.9782		2.1163	2.5099	2.3182	2.6572	3.3609	1.9072	2.4324	3.1823	3.4146	4.0371	3.5665
O3	2.7369	2.1163		0.9727	1.4345	2.0282	2.1140	2.4377	2.7522	3.7914	4.0534	4.1790	4.5905
H4	3.0932	2.5099	0.9727		1.9507	2.8264	2.3094	2.6584	2.5566	4.0875	4.5710	4.3626	4.7923
C5	2.4058	2.3182	1.4345	1.9507		1.1037	1.1081	1.5342	2.1537	2.5438	2.7909	2.8258	3.4944
H6	2.7072	2.6572	2.0282	2.8264	1.1037		1.7941	2.1677	3.0726	2.7502	2.5401	3.1217	3.7561
H7	3.3736	3.3609	2.1140	2.3094	1.1081	1.7941		2.1939	2.4701	2.8575	3.2205	2.6947	3.8590
C8	1.4214	1.9072	2.4377	2.6584	1.5342	2.1677	2.1939		1.1184	1.5236	2.1682	2.1778	2.1654
H9	2.0902	2.4324	2.7522	2.5566	2.1537	3.0726	2.4701	1.1184		2.1603	3.0838	2.4886	2.5116
C10	2.3960	3.1823	3.7914	4.0875	2.5438	2.7502	2.8575	1.5236	2.1603		1.1021	1.1022	1.1006
H11	2.6767	3.4146	4.0534	4.5710	2.7909	2.5401	3.2205	2.1682	3.0838	1.1021		1.7929	1.7827
H12	3.3601	4.0371	4.1790	4.3626	2.8258	3.1217	2.6947	2.1778	2.4886	1.1022	1.7929		1.7859
H13	2.6369	3.5665	4.5905	4.7923	3.4944	3.7561	3.8590	2.1654	2.5116	1.1006	1.7827	1.7859

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C8	C5	108.916	O1	C8	H9	110.197
O1	C8	C10	108.850	H2	O1	C8	103.736
O3	C5	H6	105.337	O3	C5	H7	111.851
O3	C5	C8	110.352	H4	O3	C5	106.684
C5	C8	H9	107.531	C5	C8	C10	112.594
H6	C5	H7	108.419	H6	C5	C8	109.438
H7	C5	C8	111.234	C8	C10	H11	110.297
C8	C10	H12	111.056	C8	C10	H13	110.167
H9	C8	C10	108.740	H11	C10	H12	108.850
H11	C10	H13	108.056	H12	C10	H13	108.336

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

using model chemistry: PBEPBE/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	-0.408
2	H	0.275
3	O	-0.393
4	H	0.286
5	C	-0.123
6	H	0.127
7	H	0.102
8	C	0.098
9	H	0.058
10	C	-0.419
11	H	0.133
12	H	0.122
13	H	0.141

	x	y	z	Total
	0.524	-1.457	1.334	2.044
CHELPG
AIM
ESP

	x	y	z
x	7.205	0.207	0.153
y	0.207	6.380	-0.067
z	0.153	-0.067	5.990

<r²>	0.000
(<r²>)^1/2	0.000

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

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

States and conformations

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