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	hartrees
Energy at 0K	-268.938942
Energy at 298.15K	-268.949009
Nuclear repulsion energy	195.659272

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3888	3672	38.32
2	A	3818	3606	144.73
3	A	3175	2999	16.79
4	A	3150	2975	36.53
5	A	3118	2945	45.74
6	A	3105	2933	5.57
7	A	3063	2893	44.84
8	A	3035	2867	55.18
9	A	1555	1469	2.42
10	A	1541	1456	1.20
11	A	1491	1409	59.26
12	A	1482	1399	30.32
13	A	1471	1390	5.36
14	A	1416	1337	1.46
15	A	1391	1314	0.42
16	A	1325	1252	24.68
17	A	1301	1229	4.73
18	A	1246	1177	9.23
19	A	1216	1148	45.84
20	A	1152	1089	30.70
21	A	1130	1067	40.47
22	A	1119	1057	86.40
23	A	986	931	1.76
24	A	928	876	9.32
25	A	926	874	2.34
26	A	841	795	7.21
27	A	548	518	137.45
28	A	505	477	2.26
29	A	389	367	3.31
30	A	337	318	15.80
31	A	287	271	64.77
32	A	227	214	3.04
33	A	103	97	0.69

Atom	x (Å)	y (Å)	z (Å)
C1	-0.025	1.038	-0.352
C2	1.276	0.469	0.183
C3	-1.252	0.404	0.299
H4	-0.077	0.881	-1.432
H5	-0.026	2.117	-0.168
O6	1.292	-0.931	-0.101
O7	-1.478	-0.922	-0.132
H8	2.049	-1.316	0.346
H9	-0.621	-1.358	-0.067
H10	2.134	0.963	-0.285
H11	1.333	0.641	1.265
H12	-1.147	0.461	1.393
H13	-2.147	0.970	0.032

	C1	C2	C3	H4	H5	O6	O7	H8	H9	H10	H11	H12	H13
C1		1.5175	1.5265	1.0929	1.0943	2.3819	2.4494	3.2141	2.4858	2.1621	2.1489	2.1529	2.1572
C2	1.5175		2.5312	2.1465	2.1294	1.4280	3.1006	1.9517	2.6451	1.0961	1.0973	2.7079	3.4625
C3	1.5265	2.5312		2.1458	2.1578	2.9002	1.4118	3.7225	1.9072	3.4817	2.7702	1.1009	1.0923
H4	1.0929	2.1465	2.1458		1.7686	2.6314	2.6275	3.5360	2.6784	2.4924	3.0529	3.0500	2.5373
H5	1.0943	2.1294	2.1578	1.7686		3.3208	3.3679	4.0439	3.5273	2.4517	2.4657	2.5367	2.4194
O6	2.3819	1.4280	2.9002	2.6314	3.3208		2.7697	0.9601	1.9599	2.0812	2.0833	3.1808	3.9314
O7	2.4494	3.1006	1.4118	2.6275	3.3679	2.7697		3.5808	0.9641	4.0775	3.5066	2.0849	2.0136
H8	3.2141	1.9517	3.7225	3.5360	4.0439	0.9601	3.5808		2.7018	2.3664	2.2779	3.8041	4.7888
H9	2.4858	2.6451	1.9072	2.6784	3.5273	1.9599	0.9641	2.7018		3.6096	3.0968	2.3915	2.7861
H10	2.1621	1.0961	3.4817	2.4924	2.4517	2.0812	4.0775	2.3664	3.6096		1.7743	3.7195	4.2931
H11	2.1489	1.0973	2.7702	3.0529	2.4657	2.0833	3.5066	2.2779	3.0968	1.7743		2.4900	3.7069
H12	2.1529	2.7079	1.1009	3.0500	2.5367	3.1808	2.0849	3.8041	2.3915	3.7195	2.4900		1.7640
H13	2.1572	3.4625	1.0923	2.5373	2.4194	3.9314	2.0136	4.7888	2.7861	4.2931	3.7069	1.7640

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O6	107.887	C1	C2	H10	110.598
C1	C2	H11	109.484	C1	C3	O7	112.881
C1	C3	H12	108.972	C1	C3	H13	109.806
C2	C1	C3	112.506	C2	C1	H4	109.548
C2	C1	H5	108.137	C2	O6	H8	108.019
C3	C1	H4	108.881	C3	C1	H5	109.740
C3	O7	H9	105.219	H4	C1	H5	107.924
O6	C2	H10	110.400	O6	C2	H11	110.487
O7	C3	H12	111.549	O7	C3	H13	106.357
H10	C2	H11	107.990	H12	C3	H13	107.084

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

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

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