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	hartrees
Energy at 0K	-268.629205
Energy at 298.15K	-268.639231
HF Energy	-267.964483
Nuclear repulsion energy	195.993503

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3940	3640	35.35
2	A	3912	3613	58.52
3	A	3264	3015	20.31
4	A	3251	3003	47.13
5	A	3243	2995	8.63
6	A	3172	2930	24.54
7	A	3159	2918	32.61
8	A	3083	2847	72.32
9	A	1600	1478	2.36
10	A	1598	1476	1.85
11	A	1585	1464	6.31
12	A	1554	1435	21.43
13	A	1511	1396	32.08
14	A	1483	1370	9.87
15	A	1474	1361	28.89
16	A	1438	1328	47.82
17	A	1372	1268	64.04
18	A	1301	1202	19.88
19	A	1263	1167	17.77
20	A	1169	1079	41.38
21	A	1152	1064	12.39
22	A	1129	1043	112.43
23	A	1008	931	2.34
24	A	982	907	19.52
25	A	906	837	11.93
26	A	561	518	71.71
27	A	526	486	127.54
28	A	503	464	15.95
29	A	382	353	18.73
30	A	338	312	82.03
31	A	266	246	3.73
32	A	242	224	0.49
33	A	163	151	3.52

Atom	x (Å)	y (Å)	z (Å)
O1	-0.436	1.366	-0.158
H2	0.485	1.647	-0.154
O3	1.932	-0.046	0.010
H4	2.163	-0.171	0.934
C5	0.712	-0.726	-0.244
H6	0.614	-0.765	-1.326
H7	0.740	-1.748	0.138
C8	-0.456	0.047	0.340
H9	-0.345	0.061	1.432
C10	-1.794	-0.564	-0.016
H11	-1.912	-0.599	-1.097
H12	-1.885	-1.573	0.384
H13	-2.598	0.044	0.393

	O1	H2	O3	H4	C5	H6	H7	C8	H9	C10	H11	H12	H13
O1		0.9629	2.7621	3.2104	2.3874	2.6468	3.3422	1.4100	2.0592	2.3638	2.6308	3.3208	2.5932
H2	0.9629		2.2331	2.7021	2.3849	2.6843	3.4173	1.9207	2.3914	3.1779	3.4174	4.0336	3.5174
O3	2.7621	2.2331		0.9603	1.4191	2.0099	2.0818	2.4125	2.6863	3.7618	4.0382	4.1273	4.5467
H4	3.2104	2.7021	0.9603		1.9494	2.8038	2.2687	2.6943	2.5667	4.0881	4.5729	4.3183	4.7960
C5	2.3874	2.3849	1.4191	1.9494		1.0872	1.0922	1.5175	2.1323	2.5219	2.7621	2.8027	3.4575
H6	2.6468	2.6843	2.0099	2.8038	1.0872		1.7683	2.1399	3.0349	2.7489	2.5416	3.1336	3.7314
H7	3.3422	3.4173	2.0818	2.2687	1.0922	1.7683		2.1670	2.4755	2.8019	3.1432	2.6421	3.7974
C8	1.4100	1.9207	2.4125	2.6943	1.5175	2.1399	2.1670		1.0985	1.5129	2.1449	2.1599	2.1423
H9	2.0592	2.3914	2.6863	2.5667	2.1323	3.0349	2.4755	1.0985		2.1420	3.0481	2.4780	2.4816
C10	2.3638	3.1779	3.7618	4.0881	2.5219	2.7489	2.8019	1.5129	2.1420		1.0884	1.0893	1.0870
H11	2.6308	3.4174	4.0382	4.5729	2.7621	2.5416	3.1432	2.1449	3.0481	1.0884		1.7727	1.7616
H12	3.3208	4.0336	4.1273	4.3183	2.8027	3.1336	2.6421	2.1599	2.4780	1.0893	1.7727		1.7671
H13	2.5932	3.5174	4.5467	4.7960	3.4575	3.7314	3.7974	2.1423	2.4816	1.0870	1.7616	1.7671

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C8	C5	109.223	O1	C8	H9	109.731
O1	C8	C10	107.891	H2	O1	C8	106.563
O3	C5	H6	105.868	O3	C5	H7	111.318
O3	C5	C8	110.429	H4	O3	C5	108.483
C5	C8	H9	108.128	C5	C8	C10	112.652
H6	C5	H7	108.461	H6	C5	C8	109.366
H7	C5	C8	111.222	C8	C10	H11	110.015
C8	C10	H12	111.164	C8	C10	H13	109.886
H9	C8	C10	109.195	H11	C10	H12	108.981
H11	C10	H13	108.148	H12	C10	H13	108.578

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

using model chemistry: CID/6-31G*

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: CID/6-31G*

States and conformations

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