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	hartrees
Energy at 0K	-268.844197
Energy at 298.15K	-268.854270
Nuclear repulsion energy	194.453839

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3932	3705	34.43
2	A	3894	3670	111.02
3	A	3172	2989	40.48
4	A	3169	2986	35.18
5	A	3134	2953	49.94
6	A	3108	2929	16.78
7	A	3083	2905	53.98
8	A	3063	2886	56.85
9	A	1579	1487	1.97
10	A	1564	1474	0.76
11	A	1519	1432	10.86
12	A	1493	1407	21.87
13	A	1488	1402	58.23
14	A	1433	1350	3.19
15	A	1415	1333	1.26
16	A	1337	1260	25.20
17	A	1307	1232	4.80
18	A	1251	1179	9.02
19	A	1222	1151	69.48
20	A	1165	1097	28.96
21	A	1137	1071	6.40
22	A	1125	1061	125.14
23	A	989	932	2.63
24	A	940	886	5.21
25	A	932	879	8.35
26	A	842	794	10.09
27	A	541	510	167.61
28	A	517	487	3.93
29	A	396	373	5.73
30	A	332	313	35.72
31	A	295	278	72.64
32	A	208	196	2.01
33	A	108	101	1.59

Atom	x (Å)	y (Å)	z (Å)
C1	-0.015	1.035	-0.349
C2	1.299	0.467	0.162
C3	-1.243	0.415	0.317
H4	-0.084	0.888	-1.429
H5	-0.009	2.113	-0.159
O6	1.296	-0.949	-0.073
O7	-1.527	-0.899	-0.147
H8	2.094	-1.337	0.300
H9	-0.703	-1.400	-0.102
H10	2.143	0.932	-0.357
H11	1.400	0.666	1.234
H12	-1.113	0.420	1.408
H13	-2.129	1.007	0.088

	C1	C2	C3	H4	H5	O6	O7	H8	H9	H10	H11	H12	H13
C1		1.5201	1.5283	1.0924	1.0944	2.3944	2.4628	3.2394	2.5419	2.1605	2.1549	2.1602	2.1587
C2	1.5201		2.5480	2.1498	2.1266	1.4361	3.1545	1.9762	2.7508	1.0937	1.0953	2.7156	3.4715
C3	1.5283	2.5480		2.1488	2.1524	2.9092	1.4223	3.7692	1.9390	3.4911	2.8090	1.0980	1.0900
H4	1.0924	2.1498	2.1488		1.7653	2.6687	2.6304	3.5616	2.7167	2.4718	3.0567	3.0534	2.5490
H5	1.0944	2.1266	2.1524	1.7653		3.3299	3.3726	4.0660	3.5808	2.4625	2.4533	2.5568	2.4037
O6	2.3944	1.4361	2.9092	2.6687	3.3299		2.8248	0.9620	2.0502	2.0824	2.0809	3.1424	3.9482
O7	2.4628	3.1545	1.4223	2.6304	3.3726	2.8248		3.6747	0.9647	4.1065	3.5953	2.0811	2.0129
H8	3.2394	1.9762	3.7692	3.5616	4.0660	0.9620	3.6747		2.8270	2.3623	2.3166	3.8211	4.8347
H9	2.5419	2.7508	1.9390	2.7167	3.5808	2.0502	0.9647	2.8270		3.6882	3.2370	2.3999	2.8038
H10	2.1605	1.0937	3.4911	2.4718	2.4625	2.0824	4.1065	2.3623	3.6882		1.7759	3.7384	4.2957
H11	2.1549	1.0953	2.8090	3.0567	2.4533	2.0809	3.5953	2.3166	3.2370	1.7759		2.5310	3.7261
H12	2.1602	2.7156	1.0980	3.0534	2.5568	3.1424	2.0811	3.8211	2.3999	3.7384	2.5310		1.7656
H13	2.1587	3.4715	1.0900	2.5490	2.4037	3.9482	2.0129	4.8347	2.8038	4.2957	3.7261	1.7656

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O6	108.154	C1	C2	H10	110.433
C1	C2	H11	109.892	C1	C3	O7	113.114
C1	C3	H12	109.587	C1	C3	H13	109.940
C2	C1	C3	113.408	C2	C1	H4	109.668
C2	C1	H5	107.745	C2	O6	H8	109.394
C3	C1	H4	109.019	C3	C1	H5	109.184
C3	O7	H9	107.083	H4	C1	H5	107.656
O6	C2	H10	110.069	O6	C2	H11	109.847
O7	C3	H12	110.662	O7	C3	H13	105.736
H10	C2	H11	108.442	H12	C3	H13	107.601

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

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

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/6-31+G**

States and conformations

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