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	hartrees
Energy at 0K	-343.837175
Energy at 298.15K	-343.847506
HF Energy	-342.850005
Nuclear repulsion energy	265.791289

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3869	3686	50.89
2	A	3865	3681	40.32
3	A	3792	3612	57.56
4	A	3140	2991	33.28
5	A	3126	2978	60.02
6	A	3107	2960	21.09
7	A	3066	2920	38.21
8	A	3053	2908	45.83
9	A	1522	1450	6.88
10	A	1509	1438	10.69
11	A	1470	1400	4.36
12	A	1467	1398	24.56
13	A	1435	1366	42.31
14	A	1375	1310	5.53
15	A	1342	1279	33.40
16	A	1288	1227	15.40
17	A	1255	1196	16.25
18	A	1231	1173	0.87
19	A	1206	1148	35.02
20	A	1157	1102	23.73
21	A	1133	1079	90.47
22	A	1105	1052	68.73
23	A	1080	1029	65.24
24	A	1019	970	15.63
25	A	960	915	9.04
26	A	851	811	14.54
27	A	657	625	28.05
28	A	493	469	107.27
29	A	488	465	13.82
30	A	410	390	5.48
31	A	291	277	3.04
32	A	263	250	35.22
33	A	243	232	93.79
34	A	237	226	68.62
35	A	178	169	29.90
36	A	97	93	3.33

Atom	x (Å)	y (Å)	z (Å)
H1	-1.596	-0.556	1.429
H2	-0.154	-1.541	0.965
C3	-0.826	-0.723	0.653
H4	0.358	0.893	1.442
C5	-0.028	0.561	0.463
H6	1.647	1.327	-0.639
H7	0.786	-0.029	-1.442
C8	1.162	0.347	-0.471
H9	2.742	-0.775	-0.466
O10	2.032	-0.586	0.161
H11	-2.067	-1.700	-0.492
O12	-1.430	-0.986	-0.619
H13	-1.411	1.133	-0.703
O14	-0.871	1.589	-0.037

	H1	H2	C3	H4	C5	H6	H7	C8	H9	O10	H11	O12	H13	O14
H1		1.8070	1.1064	2.4330	2.1545	4.2832	3.7680	3.4687	4.7391	3.8440	2.2846	2.0993	2.7269	2.6976
H2	1.8070		1.1041	2.5323	2.1650	3.7478	2.9946	2.7127	3.3199	2.5179	2.4101	2.1091	3.3938	3.3635
C3	1.1064	1.1041		2.1530	1.5235	3.4624	2.7328	2.5214	3.7394	2.9036	1.9506	1.4323	2.3719	2.4125
H4	2.4330	2.5323	2.1530		1.1037	2.4863	3.0579	2.1452	3.4793	2.5750	4.0428	3.3129	2.7913	2.0450
C5	2.1545	2.1650	1.5235	1.1037		2.1466	2.1538	1.5271	3.2124	2.3773	3.1909	2.3514	1.8976	1.4197
H6	4.2832	3.7478	3.4624	2.4863	2.1466		1.7959	1.1067	2.3764	2.1091	4.7943	3.8500	3.0655	2.6019
H7	3.7680	2.9946	2.7328	3.0579	2.1538	1.7959		1.1072	2.3094	2.1057	3.4408	2.5507	2.5933	2.7080
C8	3.4687	2.7127	2.5214	2.1452	1.5271	1.1067	1.1072		1.9381	1.4241	3.8233	2.9184	2.7004	2.4204
H9	4.7391	3.3199	3.7394	3.4793	3.2124	2.3764	2.3094	1.9381		0.9657	4.8970	4.1801	4.5767	4.3380
O10	3.8440	2.5179	2.9036	2.5750	2.3773	2.1091	2.1057	1.4241	0.9657		4.2981	3.5720	3.9449	3.6324
H11	2.2846	2.4101	1.9506	4.0428	3.1909	4.7943	3.4408	3.8233	4.8970	4.2981		0.9656	2.9163	3.5292
O12	2.0993	2.1091	1.4323	3.3129	2.3514	3.8500	2.5507	2.9184	4.1801	3.5720	0.9656		2.1209	2.6980
H13	2.7269	3.3938	2.3719	2.7913	1.8976	3.0655	2.5933	2.7004	4.5767	3.9449	2.9163	2.1209		0.9712
O14	2.6976	3.3635	2.4125	2.0450	1.4197	2.6019	2.7080	2.4204	4.3380	3.6324	3.5292	2.6980	0.9712

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C3	H2	109.657	H1	C3	C5	108.984
H1	C3	O12	110.920	H2	C3	C5	109.934
H2	C3	O12	111.864	C3	C5	H4	109.026
C3	C5	C8	111.483	C3	C5	O14	110.057
C3	O12	H11	107.263	H4	C5	C8	108.172
H4	C5	O14	107.607	C5	C3	O12	105.372
C5	C8	H6	108.110	C5	C8	H7	108.638
C5	C8	O10	107.273	C5	O14	H13	103.457
H6	C8	H7	108.426	H6	C8	O10	112.289
H7	C8	O10	111.974	C8	C5	O14	110.386
C8	O10	H9	106.812

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

using model chemistry: MP2/cc-pVDZ

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/cc-pVDZ

States and conformations

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