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	hartrees
Energy at 0K	-268.768164
Energy at 298.15K	-268.778119
HF Energy	-267.963018
Nuclear repulsion energy	195.250740

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3808	3574	23.27
2	A	3780	3547	47.34
3	A	3202	3005	16.34
4	A	3189	2993	29.93
5	A	3173	2977	18.25
6	A	3109	2917	15.95
7	A	3090	2899	35.14
8	A	3009	2823	67.32
9	A	1562	1466	2.59
10	A	1559	1463	2.23
11	A	1548	1452	6.30
12	A	1516	1422	28.06
13	A	1470	1379	33.00
14	A	1445	1356	19.64
15	A	1440	1351	14.65
16	A	1401	1315	48.49
17	A	1344	1261	50.06
18	A	1271	1192	17.32
19	A	1230	1154	15.59
20	A	1138	1068	31.98
21	A	1127	1058	9.77
22	A	1099	1031	108.61
23	A	983	922	2.26
24	A	957	898	18.37
25	A	885	831	11.83
26	A	556	522	116.76
27	A	526	494	82.59
28	A	496	465	4.65
29	A	375	352	19.96
30	A	338	317	78.04
31	A	262	246	3.21
32	A	237	222	0.44
33	A	162	152	3.59

Atom	x (Å)	y (Å)	z (Å)
O1	-0.436	1.370	-0.159
H2	0.490	1.654	-0.133
O3	1.937	-0.045	0.008
H4	2.180	-0.189	0.933
C5	0.713	-0.728	-0.243
H6	0.606	-0.763	-1.332
H7	0.730	-1.760	0.136
C8	-0.458	0.048	0.342
H9	-0.345	0.054	1.442
C10	-1.799	-0.565	-0.017
H11	-1.912	-0.599	-1.104
H12	-1.887	-1.579	0.384
H13	-2.606	0.047	0.394

	O1	H2	O3	H4	C5	H6	H7	C8	H9	C10	H11	H12	H13
O1		0.9698	2.7684	3.2359	2.3944	2.6481	3.3540	1.4145	2.0750	2.3705	2.6358	3.3317	2.6013
H2	0.9698		2.2358	2.7181	2.3954	2.7006	3.4334	1.9248	2.3955	3.1899	3.4339	4.0466	3.5287
O3	2.7684	2.2358		0.9673	1.4241	2.0200	2.1014	2.4200	2.6967	3.7715	4.0447	4.1373	4.5606
H4	3.2359	2.7181	0.9673		1.9560	2.8166	2.2817	2.7137	2.5869	4.1074	4.5895	4.3326	4.8224
C5	2.3944	2.3954	1.4241	1.9560		1.0939	1.0995	1.5221	2.1378	2.5271	2.7659	2.8067	3.4677
H6	2.6481	2.7006	2.0200	2.8166	1.0939		1.7784	2.1427	3.0434	2.7479	2.5340	3.1347	3.7352
H7	3.3540	3.4334	2.1014	2.2817	1.0995	1.7784		2.1735	2.4802	2.8013	3.1415	2.6349	3.8031
C8	1.4145	1.9248	2.4200	2.7137	1.5221	2.1427	2.1735		1.1054	1.5169	2.1506	2.1660	2.1490
H9	2.0750	2.3955	2.6967	2.5869	2.1378	3.0434	2.4802	1.1054		2.1499	3.0602	2.4824	2.4927
C10	2.3705	3.1899	3.7715	4.1074	2.5271	2.7479	2.8013	1.5169	2.1499		1.0942	1.0949	1.0928
H11	2.6358	3.4339	4.0447	4.5895	2.7659	2.5340	3.1415	2.1506	3.0602	1.0942		1.7830	1.7724
H12	3.3317	4.0466	4.1373	4.3326	2.8067	3.1347	2.6349	2.1660	2.4824	1.0949	1.7830		1.7781
H13	2.6013	3.5287	4.5606	4.8224	3.4677	3.7352	3.8031	2.1490	2.4927	1.0928	1.7724	1.7781

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C8	C5	109.191	O1	C8	H9	110.262
O1	C8	C10	107.882	H2	O1	C8	106.164
O3	C5	H6	105.941	O3	C5	H7	112.105
O3	C5	C8	110.400	H4	O3	C5	108.240
C5	C8	H9	107.847	C5	C8	C10	112.522
H6	C5	H7	108.341	H6	C5	C8	108.886
H7	C5	C8	110.974	C8	C10	H11	109.849
C8	C10	H12	111.029	C8	C10	H13	109.802
H9	C8	C10	109.139	H11	C10	H12	109.084
H11	C10	H13	108.281	H12	C10	H13	108.741

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

using model chemistry: MP3=FULL/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=FULL/6-31G*

States and conformations

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