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	hartrees
Energy at 0K	-268.413859
Energy at 298.15K	-268.423872
Nuclear repulsion energy	191.700399

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3656	3523	7.34
2	A	3612	3481	64.60
3	A	3080	2968	44.97
4	A	3070	2958	36.68
5	A	3031	2921	52.78
6	A	3008	2898	23.32
7	A	2986	2877	39.39
8	A	2965	2857	58.97
9	A	1573	1515	1.99
10	A	1560	1504	0.39
11	A	1528	1472	5.71
12	A	1476	1423	73.90
13	A	1459	1406	22.95
14	A	1423	1371	0.48
15	A	1411	1360	1.46
16	A	1321	1273	21.59
17	A	1282	1236	2.15
18	A	1217	1173	2.27
19	A	1214	1170	65.09
20	A	1150	1108	15.14
21	A	1085	1045	13.98
22	A	1046	1008	85.58
23	A	941	907	2.92
24	A	924	890	10.56
25	A	901	869	18.89
26	A	815	785	15.70
27	A	577	556	227.01
28	A	511	492	3.18
29	A	381	367	5.07
30	A	327	315	38.40
31	A	288	277	110.52
32	A	214	206	9.40
33	A	110	106	1.91

Atom	x (Å)	y (Å)	z (Å)
C1	-0.008	1.065	-0.350
C2	1.325	0.482	0.147
C3	-1.244	0.437	0.337
H4	-0.098	0.906	-1.438
H5	0.007	2.157	-0.170
O6	1.261	-0.987	-0.046
O7	-1.529	-0.913	-0.161
H8	2.085	-1.420	0.253
H9	-0.689	-1.422	-0.143
H10	2.174	0.902	-0.420
H11	1.468	0.709	1.220
H12	-1.101	0.431	1.436
H13	-2.147	1.023	0.113

	C1	C2	C3	H4	H5	O6	O7	H8	H9	H10	H11	H12	H13
C1		1.5376	1.5470	1.1029	1.1064	2.4319	2.5021	3.3049	2.5867	2.1897	2.1850	2.1887	2.1894
C2	1.5376		2.5759	2.1716	2.1543	1.4825	3.1911	2.0511	2.7863	1.1044	1.1062	2.7479	3.5141
C3	1.5470	2.5759		2.1639	2.1858	2.9068	1.4669	3.8129	1.9984	3.5315	2.8653	1.1086	1.0996
H4	1.1029	2.1716	2.1639		1.7844	2.7140	2.6429	3.6100	2.7282	2.4897	3.0916	3.0813	2.5733
H5	1.1064	2.1543	2.1858	1.7844		3.3865	3.4323	4.1580	3.6455	2.5166	2.4828	2.6055	2.4512
O6	2.4319	1.4825	2.9068	2.7140	3.3865		2.7935	0.9776	2.0007	2.1307	2.1260	3.1285	3.9601
O7	2.5021	3.1911	1.4669	2.6429	3.4323	2.7935		3.6728	0.9821	4.1319	3.6770	2.1303	2.0504
H8	3.3049	2.0511	3.8129	3.6100	4.1580	0.9776	3.6728		2.8023	2.4190	2.4183	3.8704	4.8889
H9	2.5867	2.7863	1.9984	2.7282	3.6455	2.0007	0.9821	2.8023		3.6979	3.3245	2.4688	2.8579
H10	2.1897	1.1044	3.5315	2.4897	2.5166	2.1307	4.1319	2.4190	3.6979		1.7962	3.7946	4.3562
H11	2.1850	1.1062	2.8653	3.0916	2.4828	2.1260	3.6770	2.4183	3.3245	1.7962		2.5939	3.7943
H12	2.1887	2.7479	1.1086	3.0813	2.6055	3.1285	2.1303	3.8704	2.4688	3.7946	2.5939		1.7872
H13	2.1894	3.5141	1.0996	2.5733	2.4512	3.9601	2.0504	4.8889	2.8579	4.3562	3.7943	1.7872

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O6	107.251	C1	C2	H10	110.881
C1	C2	H11	110.406	C1	C3	O7	112.210
C1	C3	H12	109.907	C1	C3	H13	110.493
C2	C1	C3	113.246	C2	C1	H4	109.550
C2	C1	H5	108.023	C2	O6	H8	111.311
C3	C1	H4	108.324	C3	C1	H5	109.820
C3	O7	H9	107.735	H4	C1	H5	107.740
O6	C2	H10	110.040	O6	C2	H11	109.564
O7	C3	H12	110.847	O7	C3	H13	105.158
H10	C2	H11	108.687	H12	C3	H13	108.059

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

using model chemistry: QCISD/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 C3H8O2 (1,3-Propanediol)

using model chemistry: QCISD/6-31G

States and conformations

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