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	hartrees
Energy at 0K	-268.803316
Energy at 298.15K	-268.813437
Nuclear repulsion energy	195.484637

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3900	3644	28.83
2	A	3842	3590	126.72
3	A	3203	2993	24.27
4	A	3183	2975	45.88
5	A	3145	2939	60.39
6	A	3131	2926	9.23
7	A	3088	2885	53.92
8	A	3060	2860	65.74
9	A	1587	1483	2.18
10	A	1572	1469	0.07
11	A	1523	1423	12.25
12	A	1498	1400	49.47
13	A	1490	1392	45.37
14	A	1438	1344	2.34
15	A	1419	1326	0.20
16	A	1342	1254	23.34
17	A	1313	1226	3.91
18	A	1255	1173	12.89
19	A	1226	1145	56.87
20	A	1168	1092	30.40
21	A	1135	1060	8.68
22	A	1125	1052	122.05
23	A	995	929	1.97
24	A	944	882	2.32
25	A	937	875	11.25
26	A	850	794	9.68
27	A	564	527	164.90
28	A	518	484	3.05
29	A	397	371	4.16
30	A	340	318	21.94
31	A	289	270	76.68
32	A	226	211	2.86
33	A	109	102	1.09

Atom	x (Å)	y (Å)	z (Å)
C1	-0.020	1.038	-0.347
C2	1.285	0.468	0.167
C3	-1.243	0.409	0.310
H4	-0.086	0.886	-1.424
H5	-0.014	2.115	-0.163
O6	1.280	-0.943	-0.084
O7	-1.492	-0.911	-0.143
H8	2.059	-1.327	0.332
H9	-0.642	-1.367	-0.081
H10	2.135	0.941	-0.332
H11	1.372	0.663	1.241
H12	-1.122	0.444	1.401
H13	-2.133	0.987	0.066

	C1	C2	C3	H4	H5	O6	O7	H8	H9	H10	H11	H12	H13
C1		1.5145	1.5239	1.0898	1.0920	2.3849	2.4512	3.2224	2.4991	2.1573	2.1453	2.1499	2.1536
C2	1.5145		2.5324	2.1416	2.1233	1.4336	3.1162	1.9623	2.6727	1.0933	1.0947	2.7047	3.4588
C3	1.5239	2.5324		2.1384	2.1547	2.8894	1.4175	3.7307	1.9156	3.4789	2.7873	1.0982	1.0890
H4	1.0898	2.1416	2.1384		1.7626	2.6471	2.6168	3.5477	2.6815	2.4755	3.0461	3.0413	2.5345
H5	1.0920	2.1233	2.1547	1.7626		3.3216	3.3675	4.0488	3.5393	2.4542	2.4498	2.5424	2.4116
O6	2.3849	1.4336	2.8894	2.6471	3.3216		2.7730	0.9635	1.9681	2.0844	2.0840	3.1462	3.9241
O7	2.4512	3.1162	1.4175	2.6168	3.3675	2.7730		3.6072	0.9671	4.0770	3.5489	2.0871	2.0139
H8	3.2224	1.9623	3.7307	3.5477	4.0488	0.9635	3.6072		2.7328	2.3654	2.2928	3.7945	4.7961
H9	2.4991	2.6727	1.9156	2.6815	3.5393	1.9681	0.9671	2.7328		3.6199	3.1503	2.3890	2.7906
H10	2.1573	1.0933	3.4789	2.4755	2.4542	2.0844	4.0770	2.3654	3.6199		1.7700	3.7222	4.2868
H11	2.1453	1.0947	2.7873	3.0461	2.4498	2.0840	3.5489	2.2928	3.1503	1.7700		2.5086	3.7111
H12	2.1499	2.7047	1.0982	3.0413	2.5424	3.1462	2.0871	3.7945	2.3890	3.7222	2.5086		1.7602
H13	2.1536	3.4588	1.0890	2.5345	2.4116	3.9241	2.0139	4.7961	2.7906	4.2868	3.7111	1.7602

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O6	107.954	C1	C2	H10	110.599
C1	C2	H11	109.564	C1	C3	O7	112.836
C1	C3	H12	109.076	C1	C3	H13	109.901
C2	C1	C3	112.917	C2	C1	H4	109.559
C2	C1	H5	107.999	C2	O6	H8	108.294
C3	C1	H4	108.661	C3	C1	H5	109.809
C3	O7	H9	105.329	H4	C1	H5	107.770
O6	C2	H10	110.426	O6	C2	H11	110.311
O7	C3	H12	111.489	O7	C3	H13	106.179
H10	C2	H11	107.992	H12	C3	H13	107.173

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

using model chemistry: MP2=FULL/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=FULL/6-31G**

States and conformations

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