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	hartrees
Energy at 0K	-52.904864
Energy at 298.15K	-52.914789
Nuclear repulsion energy	111.129433

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3656	3569	12.34
2	A	3570	3484	72.40
3	A	3091	3017	51.06
4	A	3066	2993	57.54
5	A	3043	2970	40.33
6	A	2985	2913	47.84
7	A	2969	2897	42.93
8	A	2963	2892	65.43
9	A	1544	1507	1.89
10	A	1529	1492	1.06
11	A	1494	1458	8.43
12	A	1445	1410	18.06
13	A	1440	1406	55.08
14	A	1402	1368	0.82
15	A	1377	1344	10.02
16	A	1287	1256	21.36
17	A	1249	1219	2.01
18	A	1188	1159	3.66
19	A	1173	1145	61.84
20	A	1131	1103	12.18
21	A	1075	1049	15.44
22	A	1021	996	101.60
23	A	915	893	2.81
24	A	905	883	14.00
25	A	882	861	19.57
26	A	802	783	20.08
27	A	578	564	189.72
28	A	491	479	3.24
29	A	375	366	6.13
30	A	308	301	29.64
31	A	262	255	138.51
32	A	203	198	8.17
33	A	111	108	1.76

Atom	x (Å)	y (Å)	z (Å)
C1	-0.002	1.079	-0.356
C2	1.342	0.484	0.137
C3	-1.236	0.448	0.357
H4	-0.102	0.913	-1.442
H5	0.022	2.170	-0.171
O6	1.242	-1.006	-0.029
O7	-1.545	-0.905	-0.175
H8	2.078	-1.453	0.230
H9	-0.699	-1.415	-0.177
H10	2.190	0.863	-0.460
H11	1.506	0.717	1.206
H12	-1.059	0.394	1.450
H13	-2.144	1.036	0.168

	C1	C2	C3	H4	H5	O6	O7	H8	H9	H10	H11	H12	H13
C1		1.5499	1.5589	1.1031	1.1071	2.4497	2.5195	3.3278	2.5955	2.2042	2.2008	2.2016	2.2062
C2	1.5499		2.5876	2.1828	2.1628	1.5029	3.2186	2.0738	2.8055	1.1040	1.1061	2.7373	3.5299
C3	1.5589	2.5876		2.1767	2.1969	2.8994	1.4864	3.8221	2.0111	3.5461	2.8825	1.1081	1.0986
H4	1.1031	2.1828	2.1767		1.7922	2.7363	2.6434	3.6255	2.7157	2.4941	3.1044	3.0896	2.6029
H5	1.1071	2.1628	2.1969	1.7922		3.4052	3.4509	4.1841	3.6567	2.5471	2.4914	2.6359	2.4686
O6	2.4497	1.5029	2.8994	2.7363	3.4052		2.7927	0.9819	1.9895	2.1395	2.1363	3.0727	3.9598
O7	2.5195	3.2186	1.4864	2.6434	3.4509	2.7927		3.6857	0.9876	4.1414	3.7205	2.1363	2.0603
H8	3.3278	2.0738	3.8221	3.6255	4.1841	0.9819	3.6857		2.8065	2.4192	2.4467	3.8382	4.9013
H9	2.5955	2.8055	2.0111	2.7157	3.6567	1.9895	0.9876	2.8065		3.6897	3.3641	2.4590	2.8663
H10	2.2042	1.1040	3.5461	2.4941	2.5471	2.1395	4.1414	2.4192	3.6897		1.8071	3.7970	4.3825
H11	2.2008	1.1061	2.8825	3.1044	2.4914	2.1363	3.7205	2.4467	3.3641	1.8071		2.5957	3.8081
H12	2.2016	2.7373	1.1081	3.0896	2.6359	3.0727	2.1363	3.8382	2.4590	3.7970	2.5957		1.7987
H13	2.2062	3.5299	1.0986	2.6029	2.4686	3.9598	2.0603	4.9013	2.8663	4.3825	3.8081	1.7987

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O6	106.719	C1	C2	H10	111.194
C1	C2	H11	110.805	C1	C3	O7	111.627
C1	C3	H12	110.131	C1	C3	H13	111.049
C2	C1	C3	112.677	C2	C1	H4	109.574
C2	C1	H5	107.816	C2	O6	H8	111.426
C3	C1	H4	108.496	C3	C1	H5	109.826
C3	O7	H9	107.031	H4	C1	H5	108.367
O6	C2	H10	109.358	O6	C2	H11	108.990
O7	C3	H12	109.999	O7	C3	H13	104.699
H10	C2	H11	109.701	H12	C3	H13	109.194

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

using model chemistry: MP2/CEP-121G

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/CEP-121G

States and conformations

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