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	hartrees
Energy at 0K	-268.408809
Energy at 298.15K	-268.418844
Nuclear repulsion energy	191.860689

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3688	3539	9.03
2	A	3648	3500	65.47
3	A	3090	2965	44.19
4	A	3080	2955	36.35
5	A	3042	2919	51.08
6	A	3018	2896	21.09
7	A	2996	2875	39.09
8	A	2979	2858	55.85
9	A	1577	1513	2.04
10	A	1565	1501	0.48
11	A	1532	1470	5.77
12	A	1483	1423	67.84
13	A	1467	1408	29.63
14	A	1428	1370	0.51
15	A	1418	1360	1.44
16	A	1327	1273	22.63
17	A	1288	1236	2.19
18	A	1223	1174	1.51
19	A	1220	1170	65.51
20	A	1155	1108	14.40
21	A	1095	1051	13.81
22	A	1060	1017	89.79
23	A	948	910	4.10
24	A	933	895	6.56
25	A	910	873	18.79
26	A	821	788	13.50
27	A	575	552	231.97
28	A	513	492	3.23
29	A	383	368	5.32
30	A	328	315	43.33
31	A	290	278	106.92
32	A	213	205	8.62
33	A	111	107	1.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.008	1.064	-0.349
C2	1.325	0.480	0.146
C3	-1.244	0.436	0.336
H4	-0.098	0.906	-1.437
H5	0.007	2.155	-0.168
O6	1.263	-0.984	-0.044
O7	-1.530	-0.911	-0.161
H8	2.087	-1.417	0.248
H9	-0.693	-1.422	-0.148
H10	2.172	0.901	-0.422
H11	1.470	0.709	1.219
H12	-1.103	0.427	1.435
H13	-2.146	1.023	0.114

	C1	C2	C3	H4	H5	O6	O7	H8	H9	H10	H11	H12	H13
C1		1.5373	1.5463	1.1027	1.1059	2.4296	2.4998	3.3019	2.5860	2.1878	2.1839	2.1881	2.1876
C2	1.5373		2.5759	2.1708	2.1541	1.4779	3.1900	2.0472	2.7884	1.1041	1.1059	2.7491	3.5130
C3	1.5463	2.5759		2.1631	2.1845	2.9059	1.4635	3.8127	1.9968	3.5301	2.8666	1.1081	1.0993
H4	1.1027	2.1708	2.1631		1.7832	2.7138	2.6421	3.6071	2.7270	2.4866	3.0901	3.0805	2.5715
H5	1.1059	2.1541	2.1845	1.7832		3.3831	3.4288	4.1544	3.6442	2.5151	2.4808	2.6046	2.4481
O6	2.4296	1.4779	2.9059	2.7138	3.3831		2.7958	0.9760	2.0070	2.1272	2.1221	3.1271	3.9590
O7	2.4998	3.1900	1.4635	2.6421	3.4288	2.7958		3.6750	0.9802	4.1299	3.6773	2.1262	2.0481
H8	3.3019	2.0472	3.8127	3.6071	4.1544	0.9760	3.6750		2.8085	2.4147	2.4171	3.8718	4.8880
H9	2.5860	2.7884	1.9968	2.7270	3.6442	2.0070	0.9802	2.8085		3.6990	3.3292	2.4684	2.8558
H10	2.1878	1.1041	3.5301	2.4866	2.5151	2.1272	4.1299	2.4147	3.6990		1.7950	3.7949	4.3530
H11	2.1839	1.1059	2.8666	3.0901	2.4808	2.1221	3.6773	2.4171	3.3292	1.7950		2.5973	3.7940
H12	2.1881	2.7491	1.1081	3.0805	2.6046	3.1271	2.1262	3.8718	2.4684	3.7949	2.5973		1.7859
H13	2.1876	3.5130	1.0993	2.5715	2.4481	3.9590	2.0481	4.8880	2.8558	4.3530	3.7940	1.7859

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O6	107.357	C1	C2	H10	110.779
C1	C2	H11	110.366	C1	C3	O7	112.285
C1	C3	H12	109.948	C1	C3	H13	110.421
C2	C1	C3	113.305	C2	C1	H4	109.524
C2	C1	H5	108.058	C2	O6	H8	111.439
C3	C1	H4	108.327	C3	C1	H5	109.795
C3	O7	H9	107.957	H4	C1	H5	107.688
O6	C2	H10	110.104	O6	C2	H11	109.599
O7	C3	H12	110.789	O7	C3	H13	105.216
H10	C2	H11	108.630	H12	C3	H13	108.010

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

using model chemistry: CCD/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: CCD/6-31G

States and conformations

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