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	hartrees
Energy at 0K	-268.829098
Energy at 298.15K	-268.839215
HF Energy	-268.021869
Nuclear repulsion energy	195.397005

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3860	3668	24.60
2	A	3806	3617	100.42
3	A	3148	2992	29.64
4	A	3145	2988	43.58
5	A	3098	2944	60.54
6	A	3082	2929	10.90
7	A	3044	2893	59.73
8	A	3019	2869	68.07
9	A	1567	1490	2.72
10	A	1550	1473	0.93
11	A	1506	1431	42.26
12	A	1498	1423	49.05
13	A	1484	1410	15.95
14	A	1424	1353	0.48
15	A	1403	1333	1.54
16	A	1339	1273	32.66
17	A	1310	1245	3.33
18	A	1250	1188	12.66
19	A	1223	1162	72.03
20	A	1160	1102	27.38
21	A	1130	1074	17.62
22	A	1122	1066	108.22
23	A	986	937	1.99
24	A	937	890	6.01
25	A	926	880	9.44
26	A	841	799	8.73
27	A	573	545	175.11
28	A	515	490	4.24
29	A	401	382	5.97
30	A	334	317	25.66
31	A	285	271	92.43
32	A	225	213	1.58
33	A	114	108	1.63

Atom	x (Å)	y (Å)	z (Å)
C1	-0.020	1.042	-0.346
C2	1.290	0.465	0.154
C3	-1.235	0.406	0.322
H4	-0.095	0.892	-1.428
H5	-0.010	2.122	-0.155
O6	1.262	-0.949	-0.071
O7	-1.489	-0.902	-0.148
H8	2.034	-1.340	0.345
H9	-0.634	-1.348	-0.166
H10	2.136	0.922	-0.374
H11	1.398	0.675	1.228
H12	-1.091	0.420	1.415
H13	-2.131	0.991	0.102

	C1	C2	C3	H4	H5	O6	O7	H8	H9	H10	H11	H12	H13
C1		1.5159	1.5253	1.0946	1.0968	2.3833	2.4448	3.2203	2.4738	2.1597	2.1497	2.1533	2.1589
C2	1.5159		2.5306	2.1457	2.1282	1.4318	3.1114	1.9620	2.6623	1.0973	1.0990	2.6944	3.4615
C3	1.5253	2.5306		2.1441	2.1612	2.8675	1.4137	3.7060	1.9175	3.4805	2.7968	1.1026	1.0928
H4	1.0946	2.1457	2.1441		1.7718	2.6593	2.6077	3.5584	2.6268	2.4682	3.0542	3.0492	2.5481
H5	1.0968	2.1282	2.1612	1.7718		3.3244	3.3665	4.0513	3.5253	2.4686	2.4467	2.5556	2.4176
O6	2.3833	1.4318	2.8675	2.6593	3.3244		2.7518	0.9607	1.9391	2.0868	2.0836	3.1011	3.9120
O7	2.4448	3.1114	1.4137	2.6077	3.3665	2.7518		3.5838	0.9643	4.0643	3.5656	2.0859	2.0150
H8	3.2203	1.9620	3.7060	3.5584	4.0513	0.9607	3.5838		2.7160	2.3757	2.2900	3.7426	4.7793
H9	2.4738	2.6623	1.9175	2.6268	3.5253	1.9391	0.9643	2.7160		3.5869	3.1876	2.4154	2.7900
H10	2.1597	1.0973	3.4805	2.4682	2.4686	2.0868	4.0643	2.3757	3.5869		1.7806	3.7240	4.2945
H11	2.1497	1.0990	2.7968	3.0542	2.4467	2.0836	3.5656	2.2900	3.1876	1.7806		2.5089	3.7179
H12	2.1533	2.6944	1.1026	3.0492	2.5556	3.1011	2.0859	3.7426	2.4154	3.7240	2.5089		1.7705
H13	2.1589	3.4615	1.0928	2.5481	2.4176	3.9120	2.0150	4.7793	2.7900	4.2945	3.7179	1.7705

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O6	107.871	C1	C2	H10	110.441
C1	C2	H11	109.555	C1	C3	O7	112.522
C1	C3	H12	108.993	C1	C3	H13	109.997
C2	C1	C3	112.633	C2	C1	H4	109.500
C2	C1	H5	108.016	C2	O6	H8	108.574
C3	C1	H4	108.731	C3	C1	H5	109.948
C3	O7	H9	105.926	H4	C1	H5	107.904
O6	C2	H10	110.504	O6	C2	H11	110.136
O7	C3	H12	111.387	O7	C3	H13	106.297
H10	C2	H11	108.331	H12	C3	H13	107.500

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

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

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