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	hartrees
Energy at 0K	-269.506376
Energy at 298.15K	-269.516249
Nuclear repulsion energy	196.110994

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3818	3660	14.54
2	A	3755	3600	37.20
3	A	3143	3013	23.72
4	A	3134	3004	46.06
5	A	3121	2992	19.81
6	A	3058	2931	23.61
7	A	3034	2909	50.54
8	A	2936	2814	87.91
9	A	1515	1453	2.40
10	A	1501	1439	6.74
11	A	1495	1433	5.66
12	A	1462	1401	33.90
13	A	1421	1362	53.09
14	A	1405	1346	4.96
15	A	1389	1332	3.44
16	A	1361	1304	48.89
17	A	1300	1246	48.14
18	A	1234	1182	19.93
19	A	1189	1140	24.27
20	A	1104	1058	36.29
21	A	1095	1050	6.65
22	A	1069	1025	120.32
23	A	948	909	4.20
24	A	927	889	18.19
25	A	860	824	12.64
26	A	570	546	175.40
27	A	521	499	20.66
28	A	476	456	6.11
29	A	362	347	41.99
30	A	344	329	56.75
31	A	249	239	3.12
32	A	222	213	0.44
33	A	162	156	4.64

Atom	x (Å)	y (Å)	z (Å)
O1	-0.404	1.365	-0.156
H2	0.533	1.597	-0.174
O3	1.923	-0.052	0.003
H4	2.144	-0.139	0.935
C5	0.703	-0.742	-0.232
H6	0.605	-0.798	-1.318
H7	0.735	-1.762	0.169
C8	-0.461	0.046	0.341
H9	-0.354	0.057	1.440
C10	-1.804	-0.540	-0.022
H11	-1.920	-0.574	-1.106
H12	-1.920	-1.550	0.378
H13	-2.604	0.081	0.381

	O1	H2	O3	H4	C5	H6	H7	C8	H9	C10	H11	H12	H13
O1		0.9653	2.7294	3.1538	2.3815	2.6541	3.3436	1.4104	2.0644	2.3682	2.6382	3.3286	2.6035
H2	0.9653		2.1647	2.6156	2.3467	2.6555	3.3827	1.9127	2.4005	3.1708	3.4059	4.0281	3.5281
O3	2.7294	2.1647		0.9613	1.4218	2.0100	2.0887	2.4104	2.6948	3.7595	4.0341	4.1419	4.5453
H4	3.1538	2.6156	0.9613		1.9501	2.8065	2.2811	2.6787	2.5561	4.0823	4.5685	4.3379	4.7857
C5	2.3815	2.3467	1.4218	1.9501		1.0911	1.0962	1.5185	2.1341	2.5241	2.7697	2.8113	3.4628
H6	2.6541	2.6555	2.0100	2.8065	1.0911		1.7768	2.1446	3.0425	2.7475	2.5432	3.1325	3.7355
H7	3.3436	3.3827	2.0887	2.2811	1.0962	1.7768		2.1748	2.4719	2.8243	3.1761	2.6716	3.8199
C8	1.4104	1.9127	2.4104	2.6787	1.5185	2.1446	2.1748		1.1049	1.5096	2.1463	2.1627	2.1437
H9	2.0644	2.4005	2.6948	2.5561	2.1341	3.0425	2.4719	1.1049		2.1445	3.0558	2.4833	2.4877
C10	2.3682	3.1708	3.7595	4.0823	2.5241	2.7475	2.8243	1.5096	2.1445		1.0915	1.0919	1.0899
H11	2.6382	3.4059	4.0341	4.5685	2.7697	2.5432	3.1761	2.1463	3.0558	1.0915		1.7761	1.7633
H12	3.3286	4.0281	4.1419	4.3379	2.8113	3.1325	2.6716	2.1627	2.4833	1.0919	1.7761		1.7687
H13	2.6035	3.5281	4.5453	4.7857	3.4628	3.7355	3.8199	2.1437	2.4877	1.0899	1.7633	1.7687

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C8	C5	108.748	O1	C8	H9	109.717
O1	C8	C10	108.347	H2	O1	C8	105.719
O3	C5	H6	105.478	O3	C5	H7	111.446
O3	C5	C8	110.083	H4	O3	C5	108.278
C5	C8	H9	107.831	C5	C8	C10	112.933
H6	C5	H7	108.649	H6	C5	C8	109.442
H7	C5	C8	111.538	C8	C10	H11	110.176
C8	C10	H12	111.460	C8	C10	H13	110.056
H9	C8	C10	109.237	H11	C10	H12	108.871
H11	C10	H13	107.865	H12	C10	H13	108.319

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

using model chemistry: B1B95/6-311G*

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	-0.563
2	H	0.395
3	O	-0.558
4	H	0.390
5	C	-0.256
6	H	0.227
7	H	0.200
8	C	-0.035
9	H	0.174
10	C	-0.642
11	H	0.223
12	H	0.209
13	H	0.236

	x	y	z	Total
	0.614	-1.749	1.639	2.474
CHELPG
AIM
ESP

	x	y	z
x	6.859	0.229	0.161
y	0.229	6.121	-0.060
z	0.161	-0.060	5.895

<r²>	131.088
(<r²>)^1/2	11.449

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

using model chemistry: B1B95/6-311G*

States and conformations

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