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	hartrees
Energy at 0K	-268.866631
Energy at 298.15K	-268.876600
Nuclear repulsion energy	193.742527

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3829	3672	38.90
2	A	3756	3602	131.29
3	A	3134	3005	28.73
4	A	3131	3003	35.29
5	A	3100	2973	41.38
6	A	3066	2940	13.90
7	A	3042	2917	50.37
8	A	3017	2893	59.65
9	A	1514	1452	2.00
10	A	1499	1438	1.79
11	A	1453	1394	39.89
12	A	1445	1386	35.68
13	A	1434	1375	3.11
14	A	1381	1324	1.31
15	A	1361	1305	0.74
16	A	1301	1248	20.65
17	A	1274	1222	4.06
18	A	1217	1168	7.05
19	A	1192	1143	42.89
20	A	1132	1086	24.87
21	A	1105	1060	4.69
22	A	1081	1037	138.37
23	A	955	916	2.66
24	A	911	873	11.72
25	A	909	872	0.18
26	A	824	790	12.42
27	A	533	511	115.64
28	A	497	477	2.58
29	A	382	366	4.92
30	A	332	319	24.34
31	A	284	272	68.25
32	A	200	192	3.19
33	A	100	96	1.16

Atom	x (Å)	y (Å)	z (Å)
C1	-0.021	1.038	-0.356
C2	1.289	0.476	0.179
C3	-1.255	0.416	0.304
H4	-0.077	0.885	-1.447
H5	-0.021	2.127	-0.167
O6	1.306	-0.946	-0.088
O7	-1.510	-0.923	-0.133
H8	2.103	-1.324	0.307
H9	-0.657	-1.384	-0.091
H10	2.151	0.962	-0.311
H11	1.357	0.655	1.268
H12	-1.141	0.453	1.407
H13	-2.155	0.992	0.043

	C1	C2	C3	H4	H5	O6	O7	H8	H9	H10	H11	H12	H13
C1		1.5231	1.5316	1.1027	1.1048	2.4024	2.4723	3.2453	2.5188	2.1740	2.1648	2.1691	2.1717
C2	1.5231		2.5477	2.1628	2.1355	1.4475	3.1450	1.9797	2.7062	1.1040	1.1056	2.7225	3.4855
C3	1.5316	2.5477		2.1622	2.1613	2.9270	1.4313	3.7817	1.9376	3.5037	2.7942	1.1088	1.1006
H4	1.1027	2.1628	2.1622		1.7841	2.6667	2.6549	3.5647	2.7068	2.5018	3.0792	3.0761	2.5598
H5	1.1048	2.1355	2.1613	1.7841		3.3481	3.3938	4.0795	3.5691	2.4688	2.4751	2.5559	2.4262
O6	2.4024	1.4475	2.9270	2.6667	3.3481		2.8167	0.9665	2.0116	2.0986	2.0991	3.1906	3.9693
O7	2.4723	3.1450	1.4313	2.6549	3.3938	2.8167		3.6619	0.9708	4.1215	3.5600	2.0976	2.0284
H8	3.2453	1.9797	3.7817	3.5647	4.0795	0.9665	3.6619		2.7894	2.3683	2.3227	3.8584	4.8545
H9	2.5188	2.7062	1.9376	2.7068	3.5691	2.0116	0.9708	2.7894		3.6660	3.1721	2.4190	2.8126
H10	2.1740	1.1040	3.5037	2.5018	2.4688	2.0986	4.1215	2.3683	3.6660		1.7941	3.7477	4.3209
H11	2.1648	1.1056	2.7942	3.0792	2.4751	2.0991	3.5600	2.3227	3.1721	1.7941		2.5098	3.7351
H12	2.1691	2.7225	1.1088	3.0761	2.5559	3.1906	2.0976	3.8584	2.4190	3.7477	2.5098		1.7830
H13	2.1717	3.4855	1.1006	2.5598	2.4262	3.9693	2.0284	4.8545	2.8126	4.3209	3.7351	1.7830

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O6	107.912	C1	C2	H10	110.676
C1	C2	H11	109.857	C1	C3	O7	113.068
C1	C3	H12	109.429	C1	C3	H13	110.110
C2	C1	C3	113.032	C2	C1	H4	109.872
C2	C1	H5	107.644	C2	O6	H8	108.535
C3	C1	H4	109.247	C3	C1	H5	109.059
C3	O7	H9	105.941	H4	C1	H5	107.844
O6	C2	H10	109.935	O6	C2	H11	109.881
O7	C3	H12	110.699	O7	C3	H13	105.738
H10	C2	H11	108.575	H12	C3	H13	107.609

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

using model chemistry: MP2/aug-cc-pVDZ

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: MP2/aug-cc-pVDZ

States and conformations

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