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	hartrees
Energy at 0K	-68.603506
Energy at 298.15K	-68.613512
HF Energy	-68.037847
Nuclear repulsion energy	148.594370

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3716	3591	17.07
2	A	3700	3576	10.14
3	A	3649	3526	27.48
4	A	3156	3049	41.93
5	A	3151	3045	72.22
6	A	3135	3030	12.14
7	A	3063	2960	37.78
8	A	3061	2957	71.91
9	A	1540	1488	4.59
10	A	1531	1479	7.58
11	A	1461	1412	0.89
12	A	1438	1390	2.66
13	A	1413	1365	14.40
14	A	1377	1331	37.30
15	A	1299	1255	50.84
16	A	1272	1229	8.64
17	A	1218	1177	9.33
18	A	1205	1164	5.77
19	A	1163	1124	23.20
20	A	1134	1096	9.94
21	A	1086	1049	68.91
22	A	1013	979	90.53
23	A	970	938	54.51
24	A	954	922	21.81
25	A	921	890	30.46
26	A	815	787	31.50
27	A	623	602	36.10
28	A	470	454	167.15
29	A	459	443	39.58
30	A	389	376	12.46
31	A	270	261	34.05
32	A	256	247	196.75
33	A	244	236	13.19
34	A	227	220	106.02
35	A	144	140	50.51
36	A	88	85	2.00

Atom	x (Å)	y (Å)	z (Å)
H1	-1.593	-0.620	1.466
H2	-0.112	-1.577	0.977
C3	-0.806	-0.761	0.696
H4	0.345	0.940	1.453
C5	-0.029	0.567	0.479
H6	1.683	1.386	-0.611
H7	0.822	0.039	-1.489
C8	1.170	0.408	-0.502
H9	2.924	-0.676	-0.360
O10	2.077	-0.599	0.142
H11	-1.982	-1.877	-0.602
O12	-1.451	-1.047	-0.634
H13	-1.532	1.226	-0.717
O14	-0.947	1.630	-0.028

	H1	H2	C3	H4	C5	H6	H7	C8	H9	O10	H11	O12	H13	O14
H1		1.8302	1.1104	2.4877	2.1977	4.3672	3.8735	3.5446	4.8725	3.9024	2.4510	2.1484	2.8596	2.7775
H2	1.8302		1.1075	2.6015	2.2022	3.8104	3.0929	2.7870	3.4369	2.5387	2.4653	2.1610	3.5694	3.4629
C3	1.1104	1.1075		2.1889	1.5539	3.5373	2.8402	2.5893	3.8773	2.9408	2.0761	1.5055	2.5437	2.5025
H4	2.4877	2.6015	2.1889		1.1078	2.5006	3.1142	2.1879	3.5425	2.6630	4.1914	3.3954	2.8836	2.0828
C5	2.1977	2.2022	1.5539	1.1078		2.1888	2.2088	1.5573	3.3118	2.4314	3.3096	2.4220	2.0310	1.4932
H6	4.3672	3.8104	3.5373	2.5006	2.1888		1.8233	1.1098	2.4193	2.1595	4.9063	3.9669	3.2209	2.7046
H7	3.8735	3.0929	2.8402	3.1142	2.2088	1.8233		1.1096	2.4909	2.1551	3.5099	2.6600	2.7472	2.7921
C8	3.5446	2.7870	2.5893	2.1879	1.5573	1.1098	1.1096		2.0669	1.5011	3.8934	2.9998	2.8310	2.4894
H9	4.8725	3.4369	3.8773	3.5425	3.3118	2.4193	2.4909	2.0669		0.9868	5.0558	4.3986	4.8580	4.5176
O10	3.9024	2.5387	2.9408	2.6630	2.4314	2.1595	2.1551	1.5011	0.9868		4.3196	3.6400	4.1350	3.7610
H11	2.4510	2.4653	2.0761	4.1914	3.3096	4.9063	3.5099	3.8934	5.0558	4.3196		0.9858	3.1371	3.7016
O12	2.1484	2.1610	1.5055	3.3954	2.4220	3.9669	2.6600	2.9998	4.3986	3.6400	0.9858		2.2756	2.7910
H13	2.8596	3.5694	2.5437	2.8836	2.0310	3.2209	2.7472	2.8310	4.8580	4.1350	3.1371	2.2756		0.9909
O14	2.7775	3.4629	2.5025	2.0828	1.4932	2.7046	2.7921	2.4894	4.5176	3.7610	3.7016	2.7910	0.9909

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C3	H2	111.219	H1	C3	C5	110.033
H1	C3	O12	109.499	H2	C3	C5	110.563
H2	C3	O12	110.661	C3	C5	H4	109.501
C3	C5	C8	112.666	C3	C5	O14	110.407
C3	O12	H11	111.161	H4	C5	C8	109.194
H4	C5	O14	105.443	C5	C3	O12	104.668
C5	C8	H6	109.154	C5	C8	H7	110.712
C5	C8	O10	105.295	C5	O14	H13	107.975
H6	C8	H7	110.475	H6	C8	O10	110.713
H7	C8	O10	110.372	C8	C5	O14	109.369
C8	O10	H9	110.657

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

using model chemistry: MP2/CEP-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/CEP-31G

States and conformations

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