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	hartrees
Energy at 0K	-266.999080
Energy at 298.15K	-267.009300
Nuclear repulsion energy	193.263882

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3543	3383	4.68
2	A	3451	3295	137.04
3	A	3162	3019	20.84
4	A	3133	2992	50.15
5	A	3103	2963	43.36
6	A	3094	2954	20.74
7	A	3053	2915	39.07
8	A	3007	2872	71.68
9	A	1627	1553	3.55
10	A	1614	1541	0.23
11	A	1562	1492	10.16
12	A	1538	1469	100.83
13	A	1484	1417	10.11
14	A	1454	1388	3.51
15	A	1435	1370	1.48
16	A	1350	1289	18.81
17	A	1317	1258	3.02
18	A	1251	1194	28.64
19	A	1236	1180	27.43
20	A	1164	1111	20.32
21	A	1065	1017	63.30
22	A	1058	1011	12.55
23	A	975	931	3.22
24	A	935	893	5.56
25	A	912	871	27.69
26	A	816	780	6.64
27	A	700	669	175.55
28	A	514	491	4.12
29	A	379	362	2.18
30	A	344	329	11.53
31	A	293	280	101.56
32	A	270	257	15.16
33	A	107	102	0.61

Atom	x (Å)	y (Å)	z (Å)
C1	-0.022	1.078	-0.358
C2	1.293	0.491	0.178
C3	-1.256	0.426	0.312
H4	-0.083	0.893	-1.435
H5	-0.020	2.161	-0.183
O6	1.240	-0.968	-0.089
O7	-1.450	-0.955	-0.134
H8	2.008	-1.405	0.359
H9	-0.532	-1.343	-0.121
H10	2.157	0.946	-0.323
H11	1.367	0.685	1.257
H12	-1.141	0.502	1.407
H13	-2.161	0.972	0.033

	C1	C2	C3	H4	H5	O6	O7	H8	H9	H10	H11	H12	H13
C1		1.5367	1.5482	1.0942	1.0969	2.4194	2.4940	3.2864	2.4860	2.1833	2.1666	2.1679	2.1773
C2	1.5367		2.5531	2.1581	2.1543	1.4849	3.1160	2.0343	2.6049	1.0973	1.0989	2.7263	3.4905
C3	1.5482	2.5531		2.1556	2.1871	2.8871	1.4641	3.7426	1.9605	3.5101	2.8001	1.1032	1.0935
H4	1.0942	2.1581	2.1556		1.7827	2.6510	2.6408	3.5878	2.6326	2.5016	3.0651	3.0575	2.5456
H5	1.0969	2.1543	2.1871	1.7827		3.3746	3.4284	4.1374	3.5422	2.4966	2.4849	2.5571	2.4591
O6	2.4194	1.4849	2.8871	2.6510	3.3746		2.6901	0.9906	1.8115	2.1353	2.1365	3.1731	3.9178
O7	2.4940	3.1160	1.4641	2.6408	3.4284	2.6901		3.5216	0.9968	4.0810	3.5441	2.1428	2.0607
H8	3.2864	2.0343	3.7426	3.5878	4.1374	0.9906	3.5216		2.5857	2.4518	2.3634	3.8272	4.8103
H9	2.4860	2.6049	1.9605	2.6326	3.5422	1.8115	0.9968	2.5857		3.5371	3.1021	2.4720	2.8356
H10	2.1833	1.0973	3.5101	2.5016	2.4966	2.1353	4.0810	2.4518	3.5371		1.7854	3.7502	4.3329
H11	2.1666	1.0989	2.8001	3.0651	2.4849	2.1365	3.5441	2.3634	3.1021	1.7854		2.5192	3.7458
H12	2.1679	2.7263	1.1032	3.0575	2.5571	3.1731	2.1428	3.8272	2.4720	3.7502	2.5192		1.7748
H13	2.1773	3.4905	1.0935	2.5456	2.4591	3.9178	2.0607	4.8103	2.8356	4.3329	3.7458	1.7748

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O6	106.384	C1	C2	H10	110.866
C1	C2	H11	109.460	C1	C3	O7	111.745
C1	C3	H12	108.534	C1	C3	H13	109.815
C2	C1	C3	111.707	C2	C1	H4	109.073
C2	C1	H5	108.621	C2	O6	H8	108.887
C3	C1	H4	108.099	C3	C1	H5	110.387
C3	O7	H9	104.006	H4	C1	H5	108.905
O6	C2	H10	110.675	O6	C2	H11	110.673
O7	C3	H12	112.398	O7	C3	H13	106.457
H10	C2	H11	108.771	H12	C3	H13	107.790

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

using model chemistry: MP2=FULL/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: MP2=FULL/3-21G

States and conformations

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