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	hartrees
Energy at 0K	-264.850154
Energy at 298.15K	-264.859913
Nuclear repulsion energy	190.358289

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3742	3742	9.05
2	A	3699	3699	63.98
3	A	3417	3417	3.04
4	A	3352	3352	11.26
5	A	3338	3338	12.93
6	A	3312	3312	1.20
7	A	3242	3242	9.09
8	A	3233	3233	18.90
9	A	1698	1698	23.97
10	A	1683	1683	8.49
11	A	1673	1673	8.01
12	A	1653	1653	0.47
13	A	1626	1626	1.55
14	A	1519	1519	3.96
15	A	1495	1495	6.21
16	A	1449	1449	18.00
17	A	1364	1364	2.26
18	A	1294	1294	11.36
19	A	1272	1272	0.22
20	A	1194	1194	2.23
21	A	1181	1181	7.02
22	A	1162	1162	9.88
23	A	1036	1036	1.95
24	A	969	969	0.63
25	A	951	951	2.46
26	A	891	891	0.02
27	A	581	581	114.85
28	A	516	516	2.25
29	A	392	392	2.87
30	A	344	344	24.50
31	A	286	286	8.22
32	A	212	212	5.41
33	A	116	116	0.11

Atom	x (Å)	y (Å)	z (Å)
C1	-0.020	1.106	-0.352
C2	1.310	0.469	0.193
C3	-1.287	0.420	0.295
H4	-0.058	0.990	-1.459
H5	-0.021	2.195	-0.118
O6	1.273	-0.973	-0.128
O7	-1.478	-0.974	-0.131
H8	2.058	-1.334	0.425
H9	-0.521	-1.330	-0.029
H10	2.202	0.966	-0.275
H11	1.375	0.634	1.302
H12	-1.199	0.502	1.414
H13	-2.207	0.982	-0.007

	C1	C2	C3	H4	H5	O6	O7	H8	H9	H10	H11	H12	H13
C1		1.5722	1.5796	1.1139	1.1139	2.4585	2.5508	3.2983	2.5087	2.2272	2.2143	2.2080	2.2180
C2	1.5722		2.5993	2.2077	2.2018	1.4777	3.1564	1.9658	2.5767	1.1232	1.1228	2.7906	3.5600
C3	1.5796	2.5993		2.2161	2.2194	2.9449	1.4709	3.7797	1.9381	3.5767	2.8536	1.1255	1.1197
H4	1.1139	2.2077	2.2161		1.8038	2.7193	2.7639	3.6649	2.7647	2.5515	3.1311	3.1297	2.5938
H5	1.1139	2.2018	2.2194	1.8038		3.4221	3.4892	4.1321	3.5624	2.5445	2.5302	2.5699	2.5033
O6	2.4585	1.4777	2.9449	2.7193	3.4221		2.7512	1.0267	1.8319	2.1547	2.1535	3.2660	3.9935
O7	2.5508	3.1564	1.4709	2.7639	3.4892	2.7512		3.5983	1.0264	4.1628	3.5748	2.1554	2.0917
H8	3.2983	1.9658	3.7797	3.6649	4.1321	1.0267	3.5983		2.6192	2.4084	2.2602	3.8682	4.8731
H9	2.5087	2.5767	1.9381	2.7647	3.5624	1.8319	1.0264	2.6192		3.5703	3.0368	2.4291	2.8621
H10	2.2272	1.1232	3.5767	2.5515	2.5445	2.1547	4.1628	2.4084	3.5703		1.8115	3.8256	4.4171
H11	2.2143	1.1228	2.8536	3.1311	2.5302	2.1535	3.5748	2.2602	3.0368	1.8115		2.5796	3.8293
H12	2.2080	2.7906	1.1255	3.1297	2.5699	3.2660	2.1554	3.8682	2.4291	3.8256	2.5796		1.8069
H13	2.2180	3.5600	1.1197	2.5938	2.5033	3.9935	2.0917	4.8731	2.8621	4.4171	3.8293	1.8069

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O6	107.389	C1	C2	H10	110.332
C1	C2	H11	109.368	C1	C3	O7	113.434
C1	C3	H12	108.252	C1	C3	H13	109.330
C2	C1	C3	111.117	C2	C1	H4	109.361
C2	C1	H5	108.913	C2	O6	H8	101.922
C3	C1	H4	109.508	C3	C1	H5	109.763
C3	O7	H9	100.289	H4	C1	H5	108.122
O6	C2	H10	111.152	O6	C2	H11	111.084
O7	C3	H12	111.538	O7	C3	H13	106.908
H10	C2	H11	107.522	H12	C3	H13	107.181

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

using model chemistry: CCD/STO-3G

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/STO-3G

States and conformations

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