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	hartrees
Energy at 0K	-264.777338
Energy at 298.15K	-264.787330
Nuclear repulsion energy	192.216570

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3895	3462	33.86
2	A	3853	3425	68.31
3	A	3528	3136	2.36
4	A	3454	3071	13.81
5	A	3444	3061	13.15
6	A	3410	3031	0.97
7	A	3335	2964	10.94
8	A	3321	2952	25.70
9	A	1743	1549	27.27
10	A	1727	1535	5.45
11	A	1721	1530	22.15
12	A	1692	1504	0.51
13	A	1649	1466	3.09
14	A	1556	1383	6.16
15	A	1523	1354	6.28
16	A	1475	1312	22.44
17	A	1403	1247	2.49
18	A	1326	1179	12.38
19	A	1311	1165	1.02
20	A	1230	1094	6.32
21	A	1218	1083	7.71
22	A	1201	1067	14.03
23	A	1065	947	1.71
24	A	994	883	0.49
25	A	973	865	2.96
26	A	916	815	0.03
27	A	675	600	119.78
28	A	534	475	3.10
29	A	414	368	5.57
30	A	359	319	30.43
31	A	301	267	10.31
32	A	242	215	6.43
33	A	125	111	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	-0.026	1.112	-0.345
C2	1.293	0.468	0.198
C3	-1.285	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	0.512	1.395
H13	-2.205	0.948	-0.035

	C1	C2	C3	H4	H5	O6	O7	H8	H9	H10	H11	H12	H13
C1		1.5652	1.5739	1.1059	1.1059	2.4417	2.5326	3.2753	2.4654	2.2185	2.2023	2.1928	2.2070
C2	1.5652		2.5809	2.1950	2.1911	1.4666	3.1031	1.9576	2.5037	1.1158	1.1153	2.7812	3.5384
C3	1.5739	2.5809		2.2065	2.2123	2.9103	1.4568	3.7239	1.9212	3.5560	2.8357	1.1187	1.1122
H4	1.1059	2.1950	2.2065		1.7916	2.7036	2.7612	3.6456	2.7268	2.5380	3.1115	3.1101	2.5719
H5	1.1059	2.1911	2.2123	1.7916		3.3992	3.4685	4.1075	3.5132	2.5387	2.5141	2.5398	2.5055
O6	2.4417	1.4666	2.9103	2.7036	3.3992		2.6799	1.0141	1.7490	2.1398	2.1385	3.2531	3.9465
O7	2.5326	3.1031	1.4568	2.7612	3.4685	2.6799		3.4912	1.0172	4.1079	3.5144	2.1407	2.0818
H8	3.2753	1.9576	3.7239	3.6456	4.1075	1.0141	3.4912		2.5105	2.4119	2.2436	3.8335	4.8087
H9	2.4654	2.5037	1.9212	2.7268	3.5132	1.7490	1.0172	2.5105		3.4873	2.9697	2.4349	2.8389
H10	2.2185	1.1158	3.5560	2.5380	2.5387	2.1398	4.1079	2.4119	3.4873		1.7980	3.8085	4.3961
H11	2.2023	1.1153	2.8357	3.1115	2.5141	2.1385	3.5144	2.2436	2.9697	1.7980		2.5734	3.8140
H12	2.1928	2.7812	1.1187	3.1101	2.5398	3.2531	2.1407	3.8335	2.4349	3.8085	2.5734		1.7924
H13	2.2070	3.5384	1.1122	2.5719	2.5055	3.9465	2.0818	4.8087	2.8389	4.3961	3.8140	1.7924

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O6	107.248	C1	C2	H10	110.567
C1	C2	H11	109.342	C1	C3	O7	113.309
C1	C3	H12	107.852	C1	C3	H13	109.292
C2	C1	C3	110.605	C2	C1	H4	109.313
C2	C1	H5	109.017	C2	O6	H8	102.682
C3	C1	H4	109.610	C3	C1	H5	110.059
C3	O7	H9	100.385	H4	C1	H5	108.192
O6	C2	H10	111.186	O6	C2	H11	111.116
O7	C3	H12	111.766	O7	C3	H13	107.500
H10	C2	H11	107.394	H12	C3	H13	106.918

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

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

States and conformations

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