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	hartrees
Energy at 0K	-343.309287
Energy at 298.15K	-343.319497
Nuclear repulsion energy	261.289664

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3678	3520	16.98
2	A	3663	3505	9.29
3	A	3598	3442	31.88
4	A	3145	3009	25.35
5	A	3138	3003	48.60
6	A	3120	2985	13.81
7	A	3070	2937	23.37
8	A	3066	2934	39.32
9	A	1588	1520	4.95
10	A	1577	1509	5.98
11	A	1482	1418	3.47
12	A	1460	1397	0.69
13	A	1449	1386	18.94
14	A	1409	1348	38.12
15	A	1342	1284	52.79
16	A	1301	1245	11.46
17	A	1249	1195	7.77
18	A	1232	1179	2.10
19	A	1189	1138	33.40
20	A	1154	1104	3.72
21	A	1104	1056	52.04
22	A	1030	985	79.13
23	A	996	953	69.68
24	A	970	928	18.06
25	A	937	896	27.61
26	A	834	798	30.50
27	A	645	617	36.39
28	A	507	485	184.69
29	A	481	460	11.89
30	A	402	385	11.37
31	A	285	272	3.85
32	A	256	245	57.38
33	A	251	240	150.67
34	A	225	216	101.80
35	A	165	158	58.90
36	A	99	95	3.16

Atom	x (Å)	y (Å)	z (Å)
H1	-1.561	-0.611	1.464
H2	-0.117	-1.563	0.955
C3	-0.799	-0.749	0.683
H4	0.349	0.915	1.444
C5	-0.023	0.553	0.479
H6	1.644	1.372	-0.614
H7	0.794	0.035	-1.459
C8	1.156	0.396	-0.486
H9	2.845	-0.743	-0.436
O10	2.070	-0.583	0.139
H11	-1.983	-1.831	-0.593
O12	-1.454	-1.009	-0.624
H13	-1.502	1.172	-0.703
O14	-0.925	1.599	-0.030

	H1	H2	C3	H4	C5	H6	H7	C8	H9	O10	H11	O12	H13	O14
H1		1.8027	1.0995	2.4448	2.1657	4.3038	3.8084	3.4924	4.7998	3.8648	2.4287	2.1283	2.8071	2.7423
H2	1.8027		1.0967	2.5687	2.1707	3.7654	3.0347	2.7448	3.3735	2.5314	2.4393	2.1416	3.4857	3.4092
C3	1.0995	1.0967		2.1601	1.5291	3.4856	2.7819	2.5493	3.8121	2.9248	2.0497	1.4847	2.4708	2.4568
H4	2.4448	2.5687	2.1601		1.0959	2.4741	3.0657	2.1552	3.5376	2.6285	4.1387	3.3511	2.8468	2.0649
C5	2.1657	2.1707	1.5291	1.0959		2.1551	2.1654	1.5313	3.2771	2.4049	3.2669	2.3882	1.9926	1.4726
H6	4.3038	3.7654	3.4856	2.4741	2.1551		1.7957	1.0989	2.4383	2.1377	4.8388	3.9075	3.1545	2.6450
H7	3.8084	3.0347	2.7819	3.0657	2.1654	1.7957		1.0992	2.4200	2.1360	3.4554	2.6152	2.6716	2.7283
C8	3.4924	2.7448	2.5493	2.1552	1.5313	1.0989	1.0992		2.0373	1.4775	3.8500	2.9674	2.7783	2.4471
H9	4.7998	3.3735	3.8121	3.5376	3.2771	2.4383	2.4200	2.0373		0.9785	4.9511	4.3109	4.7579	4.4570
O10	3.8648	2.5314	2.9248	2.6285	2.4049	2.1377	2.1360	1.4775	0.9785		4.3031	3.6303	4.0683	3.7096
H11	2.4287	2.4393	2.0497	4.1387	3.2669	4.8388	3.4554	3.8500	4.9511	4.3031		0.9776	3.0430	3.6331
O12	2.1283	2.1416	1.4847	3.3511	2.3882	3.9075	2.6152	2.9674	4.3109	3.6303	0.9776		2.1833	2.7268
H13	2.8071	3.4857	2.4708	2.8468	1.9926	3.1545	2.6716	2.7783	4.7579	4.0683	3.0430	2.1833		0.9843
O14	2.7423	3.4092	2.4568	2.0649	1.4726	2.6450	2.7283	2.4471	4.4570	3.7096	3.6331	2.7268	0.9843

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C3	H2	110.336	H1	C3	C5	109.883
H1	C3	O12	109.994	H2	C3	C5	110.442
H2	C3	O12	111.237	C3	C5	H4	109.646
C3	C5	C8	112.822	C3	C5	O14	109.853
C3	O12	H11	111.013	H4	C5	C8	109.116
H4	C5	O14	106.085	C5	C3	O12	104.818
C5	C8	H6	108.932	C5	C8	H7	109.721
C5	C8	O10	106.116	C5	O14	H13	106.705
H6	C8	H7	109.560	H6	C8	O10	111.294
H7	C8	O10	111.137	C8	C5	O14	109.093
C8	O10	H9	110.451

All results from a given calculation for C₃H₈O₃ (1,2,3-Propanetriol)

using model chemistry: MP2/6-31G

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 C3H8O3 (1,2,3-Propanetriol)

using model chemistry: MP2/6-31G

States and conformations

All results from a given calculation for C₃H₈O₃ (1,2,3-Propanetriol)