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	hartrees
Energy at 0K	-269.597748
Energy at 298.15K	-269.607546
HF Energy	-269.597748
Nuclear repulsion energy	195.070014

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3772	3640	17.22
2	A	3695	3565	47.91
3	A	3121	3012	23.60
4	A	3113	3004	35.95
5	A	3091	2982	24.38
6	A	3037	2931	22.15
7	A	3006	2901	49.43
8	A	2905	2803	81.18
9	A	1513	1460	1.22
10	A	1501	1448	2.51
11	A	1496	1444	3.83
12	A	1444	1394	37.50
13	A	1415	1365	33.24
14	A	1398	1349	13.71
15	A	1377	1329	1.76
16	A	1353	1305	48.98
17	A	1300	1255	33.51
18	A	1221	1178	14.10
19	A	1168	1127	20.96
20	A	1088	1049	15.04
21	A	1077	1039	19.48
22	A	1038	1001	112.08
23	A	935	902	4.28
24	A	915	883	15.52
25	A	842	813	11.35
26	A	567	548	126.25
27	A	515	497	7.11
28	A	464	448	7.11
29	A	355	342	47.33
30	A	343	331	30.55
31	A	247	238	2.08
32	A	214	207	0.26
33	A	152	146	3.31

Atom	x (Å)	y (Å)	z (Å)
O1	-0.377	1.371	-0.158
H2	0.575	1.558	-0.169
O3	1.927	-0.056	-0.019
H4	2.128	-0.077	0.926
C5	0.700	-0.768	-0.205
H6	0.592	-0.874	-1.289
H7	0.738	-1.770	0.245
C8	-0.467	0.049	0.350
H9	-0.380	0.062	1.454
C10	-1.824	-0.522	-0.037
H11	-1.919	-0.572	-1.126
H12	-1.959	-1.526	0.377
H13	-2.623	0.120	0.345

	O1	H2	O3	H4	C5	H6	H7	C8	H9	C10	H11	H12	H13
O1		0.9705	2.7138	3.0895	2.3953	2.6947	3.3580	1.4191	2.0765	2.3857	2.6631	3.3442	2.6193
H2	0.9705		2.1103	2.5062	2.3290	2.6772	3.3576	1.9058	2.4051	3.1778	3.4166	4.0287	3.5437
O3	2.7138	2.1103		0.9661	1.4306	2.0159	2.1026	2.4247	2.7396	3.7799	4.0355	4.1733	4.5675
H4	3.0895	2.5062	0.9661		1.9478	2.8104	2.2937	2.6610	2.5665	4.0917	4.5644	4.3703	4.7897
C5	2.3953	2.3290	1.4306	1.9478		1.0947	1.0995	1.5289	2.1465	2.5417	2.7835	2.8254	3.4830
H6	2.6947	2.6772	2.0159	2.8104	1.0947		1.7826	2.1590	3.0573	2.7444	2.5349	3.1160	3.7411
H7	3.3580	3.3576	2.1026	2.2937	1.0995	1.7826		2.1852	2.4640	2.8646	3.2218	2.7114	3.8576
C8	1.4191	1.9058	2.4247	2.6610	1.5289	2.1590	2.1852		1.1077	1.5221	2.1619	2.1696	2.1566
H9	2.0765	2.4051	2.7396	2.5665	2.1465	3.0573	2.4640	1.1077		2.1563	3.0709	2.4850	2.5025
C10	2.3857	3.1778	3.7799	4.0917	2.5417	2.7444	2.8646	1.5221	2.1563		1.0948	1.0950	1.0934
H11	2.6631	3.4166	4.0355	4.5644	2.7835	2.5349	3.2218	2.1619	3.0709	1.0948		1.7815	1.7720
H12	3.3442	4.0287	4.1733	4.3703	2.8254	3.1160	2.7114	2.1696	2.4850	1.0950	1.7815		1.7757
H13	2.6193	3.5437	4.5675	4.7897	3.4830	3.7411	3.8576	2.1566	2.5025	1.0934	1.7720	1.7757

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C8	C5	108.631	O1	C8	H9	109.918
O1	C8	C10	108.364	H2	O1	C8	104.213
O3	C5	H6	105.156	O3	C5	H7	111.742
O3	C5	C8	109.982	H4	O3	C5	107.132
C5	C8	H9	107.934	C5	C8	C10	112.829
H6	C5	H7	108.667	H6	C5	C8	109.649
H7	C5	C8	111.435	C8	C10	H11	110.335
C8	C10	H12	110.942	C8	C10	H13	110.002
H9	C8	C10	109.146	H11	C10	H12	108.883
H11	C10	H13	108.146	H12	C10	H13	108.462

All results from a given calculation for C₃H₈O₂ (Propylene glycol)

using model chemistry: TPSSh/6-31G(2df,p)

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 (Propylene glycol)

using model chemistry: TPSSh/6-31G(2df,p)

States and conformations

All results from a given calculation for C₃H₈O₂ (Propylene glycol)