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	hartrees
Energy at 0K	-268.403719
Energy at 298.15K	-268.413631
Nuclear repulsion energy	190.574880

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3679	3543	14.88
2	A	3606	3473	75.68
3	A	3138	3022	51.31
4	A	3115	3000	56.34
5	A	3092	2978	42.98
6	A	3041	2929	44.86
7	A	3025	2914	49.91
8	A	3018	2906	72.77
9	A	1552	1495	2.72
10	A	1540	1483	1.42
11	A	1499	1444	9.87
12	A	1455	1402	21.43
13	A	1448	1395	55.80
14	A	1416	1364	0.89
15	A	1394	1342	13.46
16	A	1306	1258	17.10
17	A	1265	1218	1.42
18	A	1205	1160	1.67
19	A	1196	1152	71.89
20	A	1146	1104	11.86
21	A	1077	1038	14.30
22	A	1029	991	98.73
23	A	938	904	3.59
24	A	909	876	19.83
25	A	887	854	19.00
26	A	805	775	16.96
27	A	576	555	217.21
28	A	504	486	3.64
29	A	377	363	5.45
30	A	319	307	27.85
31	A	266	257	138.73
32	A	203	196	12.11
33	A	110	106	1.65

Atom	x (Å)	y (Å)	z (Å)
C1	-0.000	1.078	-0.356
C2	1.339	0.484	0.144
C3	-1.240	0.448	0.349
H4	-0.096	0.918	-1.445
H5	0.022	2.170	-0.167
O6	1.247	-1.004	-0.034
O7	-1.543	-0.910	-0.167
H8	2.084	-1.451	0.222
H9	-0.696	-1.420	-0.182
H10	2.191	0.874	-0.443
H11	1.494	0.711	1.217
H12	-1.080	0.413	1.446
H13	-2.147	1.033	0.136

	C1	C2	C3	H4	H5	O6	O7	H8	H9	H10	H11	H12	H13
C1		1.5481	1.5584	1.1051	1.1087	2.4477	2.5225	3.3275	2.5982	2.2024	2.2001	2.2036	2.2030
C2	1.5481		2.5870	2.1851	2.1620	1.5008	3.2158	2.0745	2.8055	1.1059	1.1074	2.7483	3.5293
C3	1.5584	2.5870		2.1789	2.1957	2.9047	1.4838	3.8302	2.0165	3.5464	2.8799	1.1095	1.1006
H4	1.1051	2.1851	2.1789		1.7931	2.7367	2.6585	3.6257	2.7244	2.4973	3.1077	3.0960	2.5927
H5	1.1087	2.1620	2.1957	1.7931		3.4043	3.4541	4.1848	3.6607	2.5417	2.4917	2.6275	2.4674
O6	2.4477	1.5008	2.9047	2.7367	3.4043		2.7942	0.9830	1.9925	2.1409	2.1366	3.1004	3.9622
O7	2.5225	3.2158	1.4838	2.6585	3.4541	2.7942		3.6874	0.9884	4.1468	3.7094	2.1365	2.0575
H8	3.3275	2.0745	3.8302	3.6257	4.1848	0.9830	3.6874		2.8095	2.4203	2.4518	3.8710	4.9075
H9	2.5982	2.8055	2.0165	2.7244	3.6607	1.9925	0.9884	2.8095		3.6963	3.3602	2.4812	2.8680
H10	2.2024	1.1059	3.5464	2.4973	2.5417	2.1409	4.1468	2.4203	3.6963		1.8079	3.8056	4.3795
H11	2.2001	1.1074	2.8799	3.1077	2.4917	2.1366	3.7094	2.4518	3.3602	1.8079		2.6013	3.8115
H12	2.2036	2.7483	1.1095	3.0960	2.6275	3.1004	2.1365	3.8710	2.4812	3.8056	2.6013		1.7998
H13	2.2030	3.5293	1.1006	2.5927	2.4674	3.9622	2.0575	4.9075	2.8680	4.3795	3.8115	1.7998

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O6	106.785	C1	C2	H10	111.075
C1	C2	H11	110.800	C1	C3	O7	112.005
C1	C3	H12	110.242	C1	C3	H13	110.713
C2	C1	C3	112.766	C2	C1	H4	109.760
C2	C1	H5	107.779	C2	O6	H8	111.571
C3	C1	H4	108.586	C3	C1	H5	109.670
C3	O7	H9	107.618	H4	C1	H5	108.183
O6	C2	H10	109.504	O6	C2	H11	109.074
O7	C3	H12	110.113	O7	C3	H13	104.550
H10	C2	H11	109.541	H12	C3	H13	109.052

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

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

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