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	hartrees
Energy at 0K	-267.028692
Energy at 298.15K	-267.038850
Nuclear repulsion energy	192.902272

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3545	3391	1.68
2	A	3509	3356	107.36
3	A	3111	2976	23.22
4	A	3083	2949	47.21
5	A	3057	2924	32.18
6	A	3045	2913	30.99
7	A	3009	2878	36.79
8	A	2969	2839	63.24
9	A	1608	1538	4.69
10	A	1595	1526	0.34
11	A	1547	1479	23.16
12	A	1537	1470	89.17
13	A	1478	1413	5.35
14	A	1441	1378	3.35
15	A	1424	1362	1.64
16	A	1345	1287	24.10
17	A	1310	1253	2.84
18	A	1243	1189	36.33
19	A	1233	1179	18.60
20	A	1153	1103	17.47
21	A	1068	1022	64.92
22	A	1059	1013	6.72
23	A	967	925	3.94
24	A	932	891	4.06
25	A	910	870	22.48
26	A	809	774	5.69
27	A	678	648	180.97
28	A	511	489	4.20
29	A	377	361	2.10
30	A	338	324	14.42
31	A	292	279	102.52
32	A	261	250	12.95
33	A	105	100	0.76

Atom	x (Å)	y (Å)	z (Å)
C1	-0.020	1.078	-0.358
C2	1.301	0.486	0.173
C3	-1.256	0.427	0.318
H4	-0.086	0.896	-1.438
H5	-0.015	2.164	-0.180
O6	1.242	-0.971	-0.083
O7	-1.463	-0.947	-0.140
H8	2.018	-1.408	0.349
H9	-0.557	-1.354	-0.129
H10	2.165	0.938	-0.340
H11	1.386	0.688	1.254
H12	-1.134	0.488	1.416
H13	-2.162	0.983	0.049

	C1	C2	C3	H4	H5	O6	O7	H8	H9	H10	H11	H12	H13
C1		1.5419	1.5521	1.0978	1.1002	2.4221	2.4966	3.2912	2.5015	2.1888	2.1736	2.1761	2.1831
C2	1.5419		2.5618	2.1656	2.1618	1.4804	3.1297	2.0327	2.6330	1.1009	1.1024	2.7341	3.5014
C3	1.5521	2.5618		2.1613	2.1922	2.8900	1.4624	3.7524	1.9642	3.5202	2.8145	1.1063	1.0973
H4	1.0978	2.1656	2.1613		1.7879	2.6618	2.6415	3.5955	2.6450	2.5050	3.0752	3.0674	2.5554
H5	1.1002	2.1618	2.1922	1.7879		3.3789	3.4317	4.1439	3.5599	2.5061	2.4895	2.5705	2.4613
O6	2.4221	1.4804	2.8900	2.6618	3.3789		2.7062	0.9894	1.8405	2.1352	2.1350	3.1656	3.9276
O7	2.4966	3.1297	1.4624	2.6415	3.4317	2.7062		3.5451	0.9933	4.0931	3.5681	2.1416	2.0613
H8	3.2912	2.0327	3.7524	3.5955	4.1439	0.9894	3.5451		2.6194	2.4493	2.3687	3.8297	4.8249
H9	2.5015	2.6330	1.9642	2.6450	3.5599	1.8405	0.9933	2.6194		3.5645	3.1397	2.4725	2.8408
H10	2.1888	1.1009	3.5202	2.5050	2.5061	2.1352	4.0931	2.4493	3.5645		1.7910	3.7636	4.3447
H11	2.1736	1.1024	2.8145	3.0752	2.4895	2.1350	3.5681	2.3687	3.1397	1.7910		2.5330	3.7588
H12	2.1761	2.7341	1.1063	3.0674	2.5705	3.1656	2.1416	3.8297	2.4725	3.7636	2.5330		1.7804
H13	2.1831	3.5014	1.0973	2.5554	2.4613	3.9276	2.0613	4.8249	2.8408	4.3447	3.7588	1.7804

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O6	106.505	C1	C2	H10	110.721
C1	C2	H11	109.443	C1	C3	O7	111.794
C1	C3	H12	108.732	C1	C3	H13	109.783
C2	C1	C3	111.784	C2	C1	H4	109.086
C2	C1	H5	108.657	C2	O6	H8	109.156
C3	C1	H4	108.071	C3	C1	H5	110.325
C3	O7	H9	104.605	H4	C1	H5	108.867
O6	C2	H10	110.760	O6	C2	H11	110.650
O7	C3	H12	112.230	O7	C3	H13	106.399
H10	C2	H11	108.748	H12	C3	H13	107.795

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

using model chemistry: CCD/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: CCD/3-21G*

States and conformations

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