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	hartrees
Energy at 0K	-268.749022
Energy at 298.15K	-268.758973
HF Energy	-267.962899
Nuclear repulsion energy	195.088836

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3806	3572	23.09
2	A	3777	3545	47.01
3	A	3201	3005	16.45
4	A	3188	2992	30.19
5	A	3172	2977	18.34
6	A	3108	2917	15.99
7	A	3088	2898	35.39
8	A	3008	2823	67.39
9	A	1562	1466	2.56
10	A	1559	1463	2.17
11	A	1547	1452	6.20
12	A	1515	1422	28.37
13	A	1468	1378	33.06
14	A	1444	1355	22.25
15	A	1439	1351	12.30
16	A	1400	1314	48.95
17	A	1343	1261	49.31
18	A	1269	1191	16.98
19	A	1228	1153	15.51
20	A	1137	1067	31.78
21	A	1126	1057	9.82
22	A	1098	1031	108.19
23	A	982	922	2.29
24	A	956	898	18.20
25	A	884	829	11.83
26	A	556	522	120.05
27	A	526	494	79.58
28	A	495	464	4.70
29	A	374	351	20.57
30	A	340	319	76.75
31	A	261	245	3.25
32	A	237	222	0.43
33	A	162	152	3.61

Atom	x (Å)	y (Å)	z (Å)
O1	-0.428	1.373	-0.159
H2	0.509	1.630	-0.159
O3	1.939	-0.048	0.008
H4	2.153	-0.162	0.947
C5	0.710	-0.735	-0.243
H6	0.610	-0.773	-1.331
H7	0.739	-1.763	0.142
C8	-0.459	0.044	0.343
H9	-0.347	0.056	1.443
C10	-1.805	-0.558	-0.018
H11	-1.917	-0.590	-1.105
H12	-1.903	-1.572	0.383
H13	-2.609	0.060	0.391

	O1	H2	O3	H4	C5	H6	H7	C8	H9	C10	H11	H12	H13
O1		0.9721	2.7657	3.2000	2.3969	2.6565	3.3597	1.4202	2.0744	2.3754	2.6392	3.3377	2.6039
H2	0.9721		2.2110	2.6716	2.3753	2.6761	3.4149	1.9248	2.4033	3.1880	3.4224	4.0457	3.5341
O3	2.7657	2.2110		0.9693	1.4300	2.0218	2.0982	2.4234	2.7012	3.7787	4.0500	4.1503	4.5649
H4	3.2000	2.6716	0.9693		1.9560	2.8189	2.2834	2.6894	2.5588	4.0932	4.5784	4.3312	4.7993
C5	2.3969	2.3753	1.4300	1.9560		1.0936	1.0987	1.5229	2.1418	2.5317	2.7690	2.8147	3.4712
H6	2.6565	2.6761	2.0218	2.8189	1.0936		1.7800	2.1482	3.0496	2.7574	2.5434	3.1451	3.7440
H7	3.3597	3.4149	2.0982	2.2834	1.0987	1.7800		2.1782	2.4868	2.8195	3.1600	2.6596	3.8197
C8	1.4202	1.9248	2.4234	2.6894	1.5229	2.1482	2.1782		1.1055	1.5176	2.1506	2.1676	2.1498
H9	2.0744	2.4033	2.7012	2.5588	2.1418	3.0496	2.4868	1.1055		2.1526	3.0617	2.4888	2.4937
C10	2.3754	3.1880	3.7787	4.0932	2.5317	2.7574	2.8195	1.5176	2.1526		1.0941	1.0949	1.0927
H11	2.6392	3.4224	4.0500	4.5784	2.7690	2.5434	3.1600	2.1506	3.0617	1.0941		1.7833	1.7720
H12	3.3377	4.0457	4.1503	4.3312	2.8147	3.1451	2.6596	2.1676	2.4888	1.0949	1.7833		1.7778
H13	2.6039	3.5341	4.5649	4.7993	3.4712	3.7440	3.8197	2.1498	2.4937	1.0927	1.7720	1.7778

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C8	C5	109.016	O1	C8	H9	109.812
O1	C8	C10	107.864	H2	O1	C8	105.617
O3	C5	H6	105.710	O3	C5	H7	111.475
O3	C5	C8	110.269	H4	O3	C5	107.672
C5	C8	H9	108.098	C5	C8	C10	112.742
H6	C5	H7	108.572	H6	C5	C8	109.275
H7	C5	C8	111.349	C8	C10	H11	109.793
C8	C10	H12	111.100	C8	C10	H13	109.815
H9	C8	C10	109.290	H11	C10	H12	109.107
H11	C10	H13	108.253	H12	C10	H13	108.714

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

using model chemistry: MP3/6-31G*

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

using model chemistry: MP3/6-31G*

States and conformations

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