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	hartrees
Energy at 0K	-268.369350
Energy at 298.15K	-268.379407
Nuclear repulsion energy	192.047603

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3667	3509	12.60
2	A	3595	3440	82.73
3	A	3141	3005	44.94
4	A	3128	2993	34.26
5	A	3092	2958	49.43
6	A	3058	2926	23.39
7	A	3038	2906	39.93
8	A	3019	2888	62.43
9	A	1593	1524	1.76
10	A	1580	1512	0.36
11	A	1546	1479	6.10
12	A	1481	1417	43.06
13	A	1469	1405	50.10
14	A	1437	1374	0.88
15	A	1423	1361	4.05
16	A	1331	1274	17.01
17	A	1292	1237	2.14
18	A	1226	1173	7.93
19	A	1219	1166	57.99
20	A	1161	1111	16.39
21	A	1093	1046	16.23
22	A	1047	1002	89.38
23	A	951	909	2.50
24	A	928	888	13.53
25	A	906	866	18.64
26	A	823	787	18.97
27	A	588	563	224.16
28	A	515	493	3.38
29	A	383	367	4.82
30	A	331	317	34.06
31	A	290	278	114.87
32	A	218	209	9.43
33	A	112	107	1.75

Atom	x (Å)	y (Å)	z (Å)
C1	-0.010	1.065	-0.350
C2	1.318	0.486	0.150
C3	-1.244	0.438	0.332
H4	-0.095	0.906	-1.434
H5	0.004	2.153	-0.170
O6	1.259	-0.985	-0.049
O7	-1.518	-0.920	-0.156
H8	2.082	-1.415	0.257
H9	-0.667	-1.414	-0.138
H10	2.167	0.907	-0.409
H11	1.455	0.706	1.222
H12	-1.110	0.441	1.428
H13	-2.146	1.014	0.097

	C1	C2	C3	H4	H5	O6	O7	H8	H9	H10	H11	H12	H13
C1		1.5330	1.5428	1.0991	1.1029	2.4293	2.5000	3.3010	2.5732	2.1835	2.1783	2.1816	2.1830
C2	1.5330		2.5690	2.1647	2.1471	1.4848	3.1797	2.0512	2.7626	1.1004	1.1022	2.7437	3.5047
C3	1.5428	2.5690		2.1579	2.1795	2.9043	1.4687	3.8086	1.9960	3.5218	2.8547	1.1047	1.0954
H4	1.0991	2.1647	2.1579		1.7784	2.7068	2.6438	3.6043	2.7183	2.4837	3.0817	3.0720	2.5616
H5	1.1029	2.1471	2.1795	1.7784		3.3815	3.4290	4.1512	3.6297	2.5078	2.4771	2.5931	2.4482
O6	2.4293	1.4848	2.9043	2.7068	3.3815		2.7796	0.9783	1.9754	2.1284	2.1242	3.1347	3.9508
O7	2.5000	3.1797	1.4687	2.6438	3.4290	2.7796		3.6575	0.9839	4.1202	3.6578	2.1283	2.0485
H8	3.3010	2.0512	3.8086	3.6043	4.1512	0.9783	3.6575		2.7777	2.4167	2.4131	3.8737	4.8789
H9	2.5732	2.7626	1.9960	2.7183	3.6297	1.9754	0.9839	2.7777		3.6728	3.2935	2.4680	2.8522
H10	2.1835	1.1004	3.5218	2.4837	2.5078	2.1284	4.1202	2.4167	3.6728		1.7905	3.7851	4.3440
H11	2.1783	1.1022	2.8547	3.0817	2.4771	2.1242	3.6578	2.4131	3.2935	1.7905		2.5865	3.7853
H12	2.1816	2.7437	1.1047	3.0720	2.5931	3.1347	2.1283	3.8737	2.4680	3.7851	2.5865		1.7816
H13	2.1830	3.5047	1.0954	2.5616	2.4482	3.9508	2.0485	4.8789	2.8522	4.3440	3.7853	1.7816

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O6	107.212	C1	C2	H10	110.957
C1	C2	H11	110.443	C1	C3	O7	112.202
C1	C3	H12	109.874	C1	C3	H13	110.530
C2	C1	C3	113.277	C2	C1	H4	109.550
C2	C1	H5	107.978	C2	O6	H8	111.100
C3	C1	H4	108.360	C3	C1	H5	109.812
C3	O7	H9	107.285	H4	C1	H5	107.724
O6	C2	H10	109.941	O6	C2	H11	109.506
O7	C3	H12	110.803	O7	C3	H13	105.122
H10	C2	H11	108.766	H12	C3	H13	108.150

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

using model chemistry: MP2/6-31G

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: MP2/6-31G

States and conformations

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