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	hartrees
Energy at 0K	-268.922568
Energy at 298.15K	-268.932695
Nuclear repulsion energy	195.575019

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3863	3659	25.00
2	A	3809	3607	101.49
3	A	3152	2985	28.81
4	A	3148	2981	43.51
5	A	3101	2937	60.33
6	A	3086	2922	10.42
7	A	3047	2886	59.68
8	A	3022	2862	67.87
9	A	1569	1486	2.81
10	A	1551	1469	0.99
11	A	1507	1427	42.73
12	A	1499	1420	47.48
13	A	1485	1406	17.23
14	A	1426	1351	0.46
15	A	1405	1330	1.66
16	A	1341	1270	32.09
17	A	1312	1243	3.51
18	A	1252	1185	12.44
19	A	1225	1160	73.70
20	A	1161	1100	27.55
21	A	1133	1073	14.81
22	A	1125	1066	110.81
23	A	989	937	2.03
24	A	938	888	5.97
25	A	928	879	9.27
26	A	843	799	8.80
27	A	574	544	174.94
28	A	516	489	4.18
29	A	402	381	6.00
30	A	335	317	25.77
31	A	286	271	93.43
32	A	226	214	1.58
33	A	114	108	1.67

Atom	x (Å)	y (Å)	z (Å)
C1	-0.014	1.041	-0.343
C2	1.296	0.461	0.150
C3	-1.231	0.408	0.326
H4	-0.098	0.894	-1.424
H5	-0.001	2.121	-0.154
O6	1.262	-0.952	-0.066
O7	-1.504	-0.892	-0.158
H8	2.050	-1.346	0.316
H9	-0.668	-1.368	-0.120
H10	2.141	0.909	-0.387
H11	1.414	0.678	1.220
H12	-1.081	0.403	1.418
H13	-2.124	1.002	0.120

	C1	C2	C3	H4	H5	O6	O7	H8	H9	H10	H11	H12	H13
C1		1.5157	1.5260	1.0941	1.0963	2.3835	2.4476	3.2240	2.5062	2.1596	2.1492	2.1557	2.1600
C2	1.5157		2.5332	2.1467	2.1287	1.4297	3.1245	1.9644	2.6966	1.0970	1.0986	2.6946	3.4622
C3	1.5260	2.5332		2.1407	2.1627	2.8666	1.4135	3.7201	1.9156	3.4823	2.8052	1.1017	1.0921
H4	1.0941	2.1467	2.1407		1.7692	2.6650	2.6017	3.5575	2.6720	2.4671	3.0542	3.0469	2.5496
H5	1.0963	2.1287	2.1627	1.7692		3.3239	3.3670	4.0553	3.5522	2.4721	2.4446	2.5668	2.4151
O6	2.3835	1.4297	2.8666	2.6650	3.3239		2.7682	0.9599	1.9747	2.0830	2.0818	3.0868	3.9137
O7	2.4476	3.1245	1.4135	2.6017	3.3670	2.7682		3.6142	0.9631	4.0717	3.5888	2.0825	2.0120
H8	3.2240	1.9644	3.7201	3.5575	4.0553	0.9599	3.6142		2.7526	2.3632	2.3055	3.7520	4.7927
H9	2.5062	2.6966	1.9156	2.6720	3.5522	1.9747	0.9631	2.7526		3.6251	3.2118	2.3815	2.7918
H10	2.1596	1.0970	3.4823	2.4671	2.4721	2.0830	4.0717	2.3632	3.6251		1.7793	3.7277	4.2955
H11	2.1492	1.0986	2.8052	3.0542	2.4446	2.0818	3.5888	2.3055	3.2118	1.7793		2.5186	3.7194
H12	2.1557	2.6946	1.1017	3.0469	2.5668	3.0868	2.0825	3.7520	2.3815	3.7277	2.5186		1.7687
H13	2.1600	3.4622	1.0921	2.5496	2.4151	3.9137	2.0120	4.7927	2.7918	4.2955	3.7194	1.7687

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O6	108.006	C1	C2	H10	110.472
C1	C2	H11	109.562	C1	C3	O7	112.684
C1	C3	H12	109.174	C1	C3	H13	110.073
C2	C1	C3	112.777	C2	C1	H4	109.621
C2	C1	H5	108.095	C2	O6	H8	108.997
C3	C1	H4	108.446	C3	C1	H5	110.042
C3	O7	H9	105.857	H4	C1	H5	107.741
O6	C2	H10	110.363	O6	C2	H11	110.169
O7	C3	H12	111.171	O7	C3	H13	106.120
H10	C2	H11	108.268	H12	C3	H13	107.457

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

using model chemistry: MP2=FULL/6-311G*

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=FULL/6-311G*

States and conformations

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