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	hartrees
Energy at 0K	-266.990389
Energy at 298.15K	-267.000592
Nuclear repulsion energy	193.226375

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3543	3370	4.63
2	A	3450	3282	136.60
3	A	3161	3007	20.97
4	A	3133	2980	50.26
5	A	3103	2951	43.59
6	A	3093	2943	20.69
7	A	3053	2904	39.13
8	A	3007	2861	71.77
9	A	1627	1548	3.53
10	A	1614	1536	0.23
11	A	1562	1486	10.08
12	A	1538	1463	100.90
13	A	1484	1412	10.08
14	A	1453	1382	3.50
15	A	1435	1365	1.47
16	A	1350	1284	18.90
17	A	1317	1253	3.03
18	A	1250	1189	28.87
19	A	1235	1175	27.07
20	A	1164	1107	20.32
21	A	1065	1013	63.03
22	A	1058	1006	12.66
23	A	974	927	3.21
24	A	935	889	5.63
25	A	911	867	27.65
26	A	816	776	6.65
27	A	700	666	175.55
28	A	514	489	4.12
29	A	379	361	2.17
30	A	344	327	11.50
31	A	293	278	101.60
32	A	269	256	14.91
33	A	107	102	0.61

Atom	x (Å)	y (Å)	z (Å)
C1	-0.022	1.078	-0.358
C2	1.293	0.491	0.178
C3	-1.256	0.426	0.313
H4	-0.083	0.894	-1.435
H5	-0.019	2.161	-0.183
O6	1.240	-0.969	-0.089
O7	-1.450	-0.955	-0.134
H8	2.008	-1.405	0.360
H9	-0.533	-1.344	-0.121
H10	2.157	0.946	-0.323
H11	1.368	0.685	1.257
H12	-1.141	0.502	1.407
H13	-2.162	0.973	0.033

	C1	C2	C3	H4	H5	O6	O7	H8	H9	H10	H11	H12	H13
C1		1.5370	1.5485	1.0943	1.0970	2.4199	2.4946	3.2867	2.4865	2.1836	2.1670	2.1683	2.1776
C2	1.5370		2.5537	2.1585	2.1546	1.4852	3.1169	2.0344	2.6056	1.0975	1.0990	2.7270	3.4912
C3	1.5485	2.5537		2.1560	2.1874	2.8878	1.4644	3.7429	1.9607	3.5107	2.8008	1.1033	1.0937
H4	1.0943	2.1585	2.1560		1.7830	2.6516	2.6415	3.5886	2.6333	2.5018	3.0656	3.0580	2.5459
H5	1.0970	2.1546	2.1874	1.7830		3.3752	3.4291	4.1378	3.5428	2.4970	2.4852	2.5574	2.4594
O6	2.4199	1.4852	2.8878	2.6516	3.3752		2.6908	0.9907	1.8121	2.1357	2.1368	3.1737	3.9185
O7	2.4946	3.1169	1.4644	2.6415	3.4291	2.6908		3.5221	0.9969	4.0818	3.5451	2.1431	2.0610
H8	3.2867	2.0344	3.7429	3.5886	4.1378	0.9907	3.5221		2.5862	2.4524	2.3632	3.8273	4.8107
H9	2.4865	2.6056	1.9607	2.6333	3.5428	1.8121	0.9969	2.5862		3.5379	3.1028	2.4721	2.8359
H10	2.1836	1.0975	3.5107	2.5018	2.4970	2.1357	4.0818	2.4524	3.5379		1.7857	3.7510	4.3336
H11	2.1670	1.0990	2.8008	3.0656	2.4852	2.1368	3.5451	2.3632	3.1028	1.7857		2.5200	3.7466
H12	2.1683	2.7270	1.1033	3.0580	2.5574	3.1737	2.1431	3.8273	2.4721	3.7510	2.5200		1.7751
H13	2.1776	3.4912	1.0937	2.5459	2.4594	3.9185	2.0610	4.8107	2.8359	4.3336	3.7466	1.7751

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O6	106.383	C1	C2	H10	110.863
C1	C2	H11	109.462	C1	C3	O7	111.749
C1	C3	H12	108.535	C1	C3	H13	109.810
C2	C1	C3	111.714	C2	C1	H4	109.074
C2	C1	H5	108.617	C2	O6	H8	108.867
C3	C1	H4	108.100	C3	C1	H5	110.382
C3	O7	H9	103.997	H4	C1	H5	108.907
O6	C2	H10	110.672	O6	C2	H11	110.672
O7	C3	H12	112.397	O7	C3	H13	106.453
H10	C2	H11	108.777	H12	C3	H13	107.796

All results from a given calculation for C₃H₈O₂ (1,3-Propanediol)

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 (1,3-Propanediol)

using model chemistry: MP2/3-21G*

States and conformations

All results from a given calculation for C₃H₈O₂ (1,3-Propanediol)