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	hartrees
Energy at 0K	-264.775766
Energy at 298.15K	-264.785757
Nuclear repulsion energy	192.194396

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3895	3396	33.82
2	A	3853	3360	68.34
3	A	3527	3075	2.38
4	A	3454	3011	13.83
5	A	3443	3002	13.16
6	A	3409	2972	0.97
7	A	3334	2907	10.94
8	A	3320	2895	25.70
9	A	1743	1519	27.38
10	A	1727	1506	5.47
11	A	1721	1501	22.05
12	A	1692	1475	0.51
13	A	1649	1437	3.09
14	A	1556	1356	6.18
15	A	1523	1328	6.30
16	A	1475	1286	22.44
17	A	1402	1223	2.49
18	A	1326	1156	12.36
19	A	1310	1142	1.02
20	A	1230	1073	6.34
21	A	1218	1062	7.75
22	A	1201	1047	13.99
23	A	1065	928	1.71
24	A	993	866	0.49
25	A	973	848	2.96
26	A	916	799	0.03
27	A	675	589	119.83
28	A	534	465	3.10
29	A	414	361	5.56
30	A	359	313	30.42
31	A	300	262	10.30
32	A	242	211	6.41
33	A	125	109	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	-0.026	1.113	-0.345
C2	1.294	0.468	0.198
C3	-1.286	0.409	0.284
H4	-0.056	1.012	-1.446
H5	-0.029	2.190	-0.096
O6	1.249	-0.960	-0.135
O7	-1.431	-0.983	-0.122
H8	1.997	-1.344	0.432
H9	-0.466	-1.296	-0.053
H10	2.186	0.960	-0.257
H11	1.353	0.622	1.301
H12	-1.216	0.511	1.396
H13	-2.205	0.948	-0.035

	C1	C2	C3	H4	H5	O6	O7	H8	H9	H10	H11	H12	H13
C1		1.5655	1.5743	1.1060	1.1060	2.4420	2.5329	3.2756	2.4657	2.2189	2.2026	2.1931	2.2074
C2	1.5655		2.5813	2.1953	2.1915	1.4667	3.1034	1.9577	2.5039	1.1159	1.1154	2.7815	3.5389
C3	1.5743	2.5813		2.2069	2.2127	2.9106	1.4569	3.7241	1.9214	3.5566	2.8360	1.1188	1.1123
H4	1.1060	2.1953	2.2069		1.7918	2.7039	2.7615	3.6459	2.7271	2.5384	3.1119	3.1105	2.5722
H5	1.1060	2.1915	2.2127	1.7918		3.3996	3.4689	4.1079	3.5135	2.5392	2.5144	2.5402	2.5059
O6	2.4420	1.4667	2.9106	2.7039	3.3996		2.6801	1.0141	1.7491	2.1400	2.1387	3.2534	3.9469
O7	2.5329	3.1034	1.4569	2.7615	3.4689	2.6801		3.4912	1.0172	4.1082	3.5147	2.1408	2.0820
H8	3.2756	1.9577	3.7241	3.6459	4.1079	1.0141	3.4912		2.5104	2.4122	2.2437	3.8336	4.8089
H9	2.4657	2.5039	1.9214	2.7271	3.5135	1.7491	1.0172	2.5104		3.4876	2.9698	2.4350	2.8391
H10	2.2189	1.1159	3.5566	2.5384	2.5392	2.1400	4.1082	2.4122	3.4876		1.7982	3.8090	4.3967
H11	2.2026	1.1154	2.8360	3.1119	2.5144	2.1387	3.5147	2.2437	2.9698	1.7982		2.5737	3.8144
H12	2.1931	2.7815	1.1188	3.1105	2.5402	3.2534	2.1408	3.8336	2.4350	3.8090	2.5737		1.7926
H13	2.2074	3.5389	1.1123	2.5722	2.5059	3.9469	2.0820	4.8089	2.8391	4.3967	3.8144	1.7926

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O6	107.244	C1	C2	H10	110.566
C1	C2	H11	109.342	C1	C3	O7	113.305
C1	C3	H12	107.850	C1	C3	H13	109.289
C2	C1	C3	110.597	C2	C1	H4	109.312
C2	C1	H5	109.017	C2	O6	H8	102.680
C3	C1	H4	109.610	C3	C1	H5	110.059
C3	O7	H9	100.385	H4	C1	H5	108.201
O6	C2	H10	111.185	O6	C2	H11	111.115
O7	C3	H12	111.767	O7	C3	H13	107.502
H10	C2	H11	107.401	H12	C3	H13	106.924

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

using model chemistry: MP2/STO-3G

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/STO-3G

States and conformations

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