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	hartrees
Energy at 0K	-266.990389
Energy at 298.15K	-267.000606
Nuclear repulsion energy	193.226375

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3543	3381	4.63
2	A	3450	3293	136.60
3	A	3161	3018	20.97
4	A	3133	2990	50.26
5	A	3103	2961	43.59
6	A	3093	2953	20.69
7	A	3053	2914	39.13
8	A	3007	2870	71.77
9	A	1627	1553	3.53
10	A	1614	1541	0.23
11	A	1562	1491	10.08
12	A	1538	1468	100.90
13	A	1484	1416	10.08
14	A	1453	1387	3.50
15	A	1435	1370	1.47
16	A	1350	1289	18.90
17	A	1317	1257	3.03
18	A	1250	1193	28.87
19	A	1235	1179	27.07
20	A	1164	1111	20.32
21	A	1065	1016	63.03
22	A	1058	1010	12.66
23	A	974	930	3.21
24	A	935	892	5.63
25	A	911	870	27.65
26	A	816	779	6.65
27	A	700	668	175.55
28	A	514	490	4.12
29	A	379	362	2.17
30	A	344	328	11.50
31	A	293	279	101.60
32	A	269	257	14.91
33	A	107	102	0.61

Atom	x (Å)	y (Å)	z (Å)
C1	-0.022	1.078	-0.358
C2	1.293	0.491	0.178
C3	-1.256	0.426	0.313
H4	-0.083	0.894	-1.435
H5	-0.019	2.161	-0.183
O6	1.240	-0.969	-0.089
O7	-1.450	-0.955	-0.134
H8	2.008	-1.405	0.360
H9	-0.533	-1.344	-0.121
H10	2.157	0.946	-0.323
H11	1.368	0.685	1.257
H12	-1.141	0.502	1.407
H13	-2.162	0.973	0.033

	C1	C2	C3	H4	H5	O6	O7	H8	H9	H10	H11	H12	H13
C1		1.5370	1.5485	1.0943	1.0970	2.4199	2.4946	3.2867	2.4865	2.1836	2.1670	2.1683	2.1776
C2	1.5370		2.5537	2.1585	2.1546	1.4852	3.1169	2.0344	2.6056	1.0975	1.0990	2.7270	3.4912
C3	1.5485	2.5537		2.1560	2.1874	2.8878	1.4644	3.7429	1.9607	3.5107	2.8008	1.1033	1.0937
H4	1.0943	2.1585	2.1560		1.7830	2.6516	2.6415	3.5886	2.6333	2.5018	3.0656	3.0580	2.5459
H5	1.0970	2.1546	2.1874	1.7830		3.3752	3.4291	4.1378	3.5428	2.4970	2.4852	2.5574	2.4594
O6	2.4199	1.4852	2.8878	2.6516	3.3752		2.6908	0.9907	1.8121	2.1357	2.1368	3.1737	3.9185
O7	2.4946	3.1169	1.4644	2.6415	3.4291	2.6908		3.5221	0.9969	4.0818	3.5451	2.1431	2.0610
H8	3.2867	2.0344	3.7429	3.5886	4.1378	0.9907	3.5221		2.5862	2.4524	2.3632	3.8273	4.8107
H9	2.4865	2.6056	1.9607	2.6333	3.5428	1.8121	0.9969	2.5862		3.5379	3.1028	2.4721	2.8359
H10	2.1836	1.0975	3.5107	2.5018	2.4970	2.1357	4.0818	2.4524	3.5379		1.7857	3.7510	4.3336
H11	2.1670	1.0990	2.8008	3.0656	2.4852	2.1368	3.5451	2.3632	3.1028	1.7857		2.5200	3.7466
H12	2.1683	2.7270	1.1033	3.0580	2.5574	3.1737	2.1431	3.8273	2.4721	3.7510	2.5200		1.7751
H13	2.1776	3.4912	1.0937	2.5459	2.4594	3.9185	2.0610	4.8107	2.8359	4.3336	3.7466	1.7751

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O6	106.383	C1	C2	H10	110.863
C1	C2	H11	109.462	C1	C3	O7	111.749
C1	C3	H12	108.535	C1	C3	H13	109.810
C2	C1	C3	111.714	C2	C1	H4	109.074
C2	C1	H5	108.617	C2	O6	H8	108.867
C3	C1	H4	108.100	C3	C1	H5	110.382
C3	O7	H9	103.997	H4	C1	H5	108.907
O6	C2	H10	110.672	O6	C2	H11	110.672
O7	C3	H12	112.397	O7	C3	H13	106.453
H10	C2	H11	108.777	H12	C3	H13	107.796

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

using model chemistry: MP2/3-21G

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: MP2/3-21G

States and conformations

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