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	hartrees
Energy at 0K	-52.908911
Energy at 298.15K	-52.918494
HF Energy	-52.393478
Nuclear repulsion energy	110.389965

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3628	3541	15.19
2	A	3590	3504	22.94
3	A	3114	3040	34.88
4	A	3102	3027	24.85
5	A	3080	3006	31.49
6	A	2999	2927	50.92
7	A	2976	2904	16.16
8	A	2957	2886	67.06
9	A	1527	1490	6.35
10	A	1515	1479	6.10
11	A	1507	1471	1.24
12	A	1450	1415	12.85
13	A	1441	1406	12.29
14	A	1382	1349	26.36
15	A	1379	1346	4.14
16	A	1336	1304	22.08
17	A	1271	1240	43.02
18	A	1219	1190	12.18
19	A	1151	1124	0.67
20	A	1075	1049	29.60
21	A	1062	1036	42.19
22	A	980	956	76.73
23	A	944	921	10.10
24	A	897	876	33.98
25	A	818	798	21.32
26	A	507	495	158.02
27	A	490	478	84.26
28	A	454	443	5.32
29	A	349	340	10.35
30	A	267	260	110.39
31	A	236	230	13.00
32	A	204	199	0.63
33	A	135	132	6.35

Atom	x (Å)	y (Å)	z (Å)
O1	-0.474	1.414	-0.157
H2	0.455	1.748	-0.148
O3	2.008	-0.032	0.024
H4	2.308	-0.243	0.938
C5	0.722	-0.744	-0.277
H6	0.649	-0.708	-1.372
H7	0.769	-1.790	0.074
C8	-0.471	0.015	0.359
H9	-0.339	0.039	1.460
C10	-1.845	-0.589	-0.012
H11	-1.954	-0.619	-1.108
H12	-1.944	-1.612	0.393
H13	-2.648	0.038	0.404

	O1	H2	O3	H4	C5	H6	H7	C8	H9	C10	H11	H12	H13
O1		0.9870	2.8783	3.4183	2.4703	2.6910	3.4451	1.4916	2.1273	2.4317	2.6885	3.4086	2.6331
H2	0.9870		2.3685	2.9287	2.5091	2.7505	3.5590	2.0293	2.4774	3.2813	3.5107	4.1631	3.5852
O3	2.8783	2.3685		0.9843	1.4999	2.0617	2.1511	2.5018	2.7521	3.8925	4.1622	4.2713	4.6711
H4	3.4183	2.9287	0.9843		2.0590	2.8808	2.3465	2.8503	2.7125	4.2736	4.7425	4.4994	4.9918
C5	2.4703	2.5091	1.4999	2.0590		1.0979	1.1049	1.5503	2.1808	2.5850	2.8053	2.8824	3.5253
H6	2.6910	2.7505	2.0617	2.8808	1.0979		1.8101	2.1848	3.0912	2.8432	2.6185	3.2641	3.8182
H7	3.4451	3.5590	2.1511	2.3465	1.1049	1.8101		2.2086	2.5487	2.8779	3.1919	2.7374	3.8890
C8	1.4916	2.0293	2.5018	2.8503	1.5503	2.1848	2.2086		1.1096	1.5455	2.1802	2.1943	2.1769
H9	2.1273	2.4774	2.7521	2.7125	2.1808	3.0912	2.5487	1.1096		2.1975	3.1047	2.5377	2.5387
C10	2.4317	3.2813	3.8925	4.2736	2.5850	2.8432	2.8779	1.5455	2.1975		1.1022	1.1042	1.1002
H11	2.6885	3.5107	4.1622	4.7425	2.8053	2.6185	3.1919	2.1802	3.1047	1.1022		1.7997	1.7883
H12	3.4086	4.1631	4.2713	4.4994	2.8824	3.2641	2.7374	2.1943	2.5377	1.1042	1.7997		1.7933
H13	2.6331	3.5852	4.6711	4.9918	3.5253	3.8182	3.8890	2.1769	2.5387	1.1002	1.7883	1.7933

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C8	C5	108.585	O1	C8	H9	108.850
O1	C8	C10	106.371	H2	O1	C8	108.190
O3	C5	H6	103.974	O3	C5	H7	110.428
O3	C5	C8	110.201	H4	O3	C5	110.234
C5	C8	H9	109.027	C5	C8	C10	113.233
H6	C5	H7	110.515	H6	C5	C8	110.003
H7	C5	C8	111.472	C8	C10	H11	109.726
C8	C10	H12	110.714	C8	C10	H13	109.584
H9	C8	C10	110.648	H11	C10	H12	109.315
H11	C10	H13	108.584	H12	C10	H13	108.881

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

using model chemistry: MP2/CEP-121G

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: MP2/CEP-121G

States and conformations

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