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	hartrees
Energy at 0K	-266.993227
Energy at 298.15K	-267.003221
HF Energy	-266.478562
Nuclear repulsion energy	192.864284

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3497	3327	3.18
2	A	3451	3283	27.67
3	A	3183	3028	28.37
4	A	3179	3024	16.56
5	A	3170	3016	11.26
6	A	3094	2944	20.74
7	A	3089	2939	23.38
8	A	3009	2862	62.33
9	A	1604	1526	5.88
10	A	1590	1513	3.46
11	A	1585	1508	1.73
12	A	1498	1425	42.11
13	A	1490	1418	16.33
14	A	1431	1361	5.25
15	A	1421	1352	16.35
16	A	1408	1339	49.49
17	A	1362	1296	34.90
18	A	1262	1201	15.34
19	A	1188	1130	0.74
20	A	1124	1069	17.76
21	A	1069	1017	36.56
22	A	1002	953	43.29
23	A	970	923	19.55
24	A	927	882	19.51
25	A	848	806	11.76
26	A	655	623	176.88
27	A	519	494	11.98
28	A	472	449	22.55
29	A	381	362	91.54
30	A	362	345	10.07
31	A	267	254	2.99
32	A	231	220	0.39
33	A	161	153	4.29

Atom	x (Å)	y (Å)	z (Å)
O1	-0.342	1.389	-0.151
H2	0.647	1.516	-0.203
O3	1.941	-0.049	-0.020
H4	2.182	-0.136	0.941
C5	0.675	-0.804	-0.217
H6	0.553	-0.861	-1.300
H7	0.720	-1.813	0.208
C8	-0.476	0.025	0.376
H9	-0.387	0.013	1.475
C10	-1.855	-0.491	-0.043
H11	-1.920	-0.480	-1.135
H12	-2.022	-1.508	0.327
H13	-2.627	0.170	0.357

	O1	H2	O3	H4	C5	H6	H7	C8	H9	C10	H11	H12	H13
O1		0.9984	2.7016	3.1448	2.4183	2.6803	3.3930	1.4686	2.1301	2.4153	2.6363	3.3831	2.6389
H2	0.9984		2.0388	2.5287	2.3198	2.6190	3.3552	1.9544	2.4781	3.2108	3.3819	4.0680	3.5835
O3	2.7016	2.0388		0.9943	1.4875	2.0554	2.1581	2.4507	2.7673	3.8215	4.0418	4.2379	4.5891
H4	3.1448	2.5287	0.9943		2.0143	2.8634	2.3424	2.7222	2.6278	4.1696	4.6098	4.4647	4.8540
C5	2.4183	2.3198	1.4875	2.0143		1.0912	1.0963	1.5372	2.1584	2.5546	2.7712	2.8402	3.4904
H6	2.6803	2.6190	2.0554	2.8634	1.0912		1.7916	2.1567	3.0575	2.7410	2.5074	3.1143	3.7315
H7	3.3930	3.3552	2.1581	2.3424	1.0963	1.7916		2.1993	2.4834	2.9049	3.2480	2.7616	3.8937
C8	1.4686	1.9544	2.4507	2.7222	1.5372	2.1567	2.1993		1.1030	1.5300	2.1495	2.1777	2.1559
H9	2.1301	2.4781	2.7673	2.6278	2.1584	3.0575	2.4834	1.1030		2.1711	3.0669	2.5118	2.5087
C10	2.4153	3.2108	3.8215	4.1696	2.5546	2.7410	2.9049	1.5300	2.1711		1.0940	1.0952	1.0932
H11	2.6363	3.3819	4.0418	4.6098	2.7712	2.5074	3.2480	2.1495	3.0669	1.0940		1.7903	1.7749
H12	3.3831	4.0680	4.2379	4.4647	2.8402	3.1143	2.7616	2.1777	2.5118	1.0952	1.7903		1.7847
H13	2.6389	3.5835	4.5891	4.8540	3.4904	3.7315	3.8937	2.1559	2.5087	1.0932	1.7749	1.7847

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C8	C5	107.110	O1	C8	H9	111.051
O1	C8	C10	107.293	H2	O1	C8	103.120
O3	C5	H6	104.649	O3	C5	H7	112.402
O3	C5	C8	108.225	H4	O3	C5	106.818
C5	C8	H9	108.551	C5	C8	C10	112.789
H6	C5	H7	109.973	H6	C5	C8	109.098
H7	C5	C8	112.179	C8	C10	H11	108.870
C8	C10	H12	111.015	C8	C10	H13	109.419
H9	C8	C10	110.028	H11	C10	H12	109.727
H11	C10	H13	108.486	H12	C10	H13	109.281

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

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

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