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	hartrees
Energy at 0K	-268.826474
Energy at 298.15K	-268.836564
Nuclear repulsion energy	194.910831

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3883	3647	38.07
2	A	3822	3590	136.00
3	A	3192	2998	33.48
4	A	3189	2995	29.26
5	A	3155	2963	42.33
6	A	3120	2930	15.71
7	A	3095	2906	53.09
8	A	3072	2885	60.79
9	A	1572	1476	1.95
10	A	1557	1462	1.17
11	A	1508	1417	11.82
12	A	1477	1387	10.92
13	A	1473	1383	63.08
14	A	1421	1334	2.00
15	A	1402	1317	2.37
16	A	1330	1249	19.18
17	A	1298	1219	4.11
18	A	1244	1168	8.90
19	A	1209	1136	59.25
20	A	1158	1087	32.47
21	A	1122	1054	5.72
22	A	1105	1038	142.01
23	A	979	919	2.62
24	A	937	880	1.82
25	A	929	873	12.96
26	A	842	791	12.29
27	A	561	526	166.55
28	A	516	484	2.50
29	A	395	371	5.09
30	A	335	315	32.68
31	A	301	282	73.46
32	A	216	202	2.02
33	A	107	101	1.41

Atom	x (Å)	y (Å)	z (Å)
C1	-0.016	1.036	-0.350
C2	1.291	0.471	0.167
C3	-1.240	0.417	0.313
H4	-0.080	0.885	-1.429
H5	-0.010	2.113	-0.164
O6	1.285	-0.948	-0.079
O7	-1.510	-0.906	-0.143
H8	2.076	-1.341	0.311
H9	-0.672	-1.389	-0.095
H10	2.139	0.934	-0.340
H11	1.379	0.660	1.240
H12	-1.113	0.433	1.402
H13	-2.129	0.997	0.074

	C1	C2	C3	H4	H5	O6	O7	H8	H9	H10	H11	H12	H13
C1		1.5143	1.5234	1.0908	1.0930	2.3879	2.4588	3.2343	2.5252	2.1573	2.1487	2.1537	2.1557
C2	1.5143		2.5351	2.1439	2.1211	1.4401	3.1362	1.9797	2.7169	1.0922	1.0937	2.7031	3.4611
C3	1.5234	2.5351		2.1438	2.1483	2.8972	1.4247	3.7531	1.9365	3.4803	2.7891	1.0968	1.0883
H4	1.0908	2.1439	2.1438		1.7637	2.6544	2.6277	3.5538	2.7020	2.4723	3.0502	3.0471	2.5431
H5	1.0930	2.1211	2.1483	1.7637		3.3251	3.3707	4.0629	3.5647	2.4577	2.4524	2.5479	2.4062
O6	2.3879	1.4401	2.8972	2.6544	3.3251		2.7970	0.9653	2.0070	2.0837	2.0828	3.1397	3.9327
O7	2.4588	3.1362	1.4247	2.6277	3.3707	2.7970		3.6414	0.9687	4.0921	3.5660	2.0825	2.0125
H8	3.2343	1.9797	3.7531	3.5538	4.0629	0.9653	3.6414		2.7790	2.3675	2.3139	3.8095	4.8173
H9	2.5252	2.7169	1.9365	2.7020	3.5647	2.0070	0.9687	2.7790		3.6559	3.1928	2.3994	2.8008
H10	2.1573	1.0922	3.4803	2.4723	2.4577	2.0837	4.0921	2.3675	3.6559		1.7754	3.7240	4.2887
H11	2.1487	1.0937	2.7891	3.0502	2.4524	2.0828	3.5660	2.3139	3.1928	1.7754		2.5083	3.7124
H12	2.1537	2.7031	1.0968	3.0471	2.5479	3.1397	2.0825	3.8095	2.3994	3.7240	2.5083		1.7646
H13	2.1557	3.4611	1.0883	2.5431	2.4062	3.9327	2.0125	4.8173	2.8008	4.2887	3.7124	1.7646

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	O6	107.827	C1	C2	H10	110.682
C1	C2	H11	109.900	C1	C3	O7	112.990
C1	C3	H12	109.487	C1	C3	H13	110.144
C2	C1	C3	113.142	C2	C1	H4	109.697
C2	C1	H5	107.788	C2	O6	H8	109.188
C3	C1	H4	109.062	C3	C1	H5	109.282
C3	O7	H9	106.455	H4	C1	H5	107.723
O6	C2	H10	109.986	O6	C2	H11	109.816
O7	C3	H12	110.691	O7	C3	H13	105.635
H10	C2	H11	108.624	H12	C3	H13	107.709

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

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

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/6-31+G**

States and conformations

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