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	hartrees
Energy at 0K	-269.530466
Energy at 298.15K	-269.540200
Nuclear repulsion energy	193.059142

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3607	3598	4.38
2	A	3548	3539	22.72
3	A	3032	3025	31.42
4	A	3024	3017	65.15
5	A	3017	3010	4.04
6	A	2962	2955	26.38
7	A	2928	2920	59.46
8	A	2823	2816	94.40
9	A	1485	1481	2.77
10	A	1467	1463	6.44
11	A	1460	1456	2.04
12	A	1412	1409	44.44
13	A	1388	1384	36.32
14	A	1374	1370	13.27
15	A	1346	1343	2.08
16	A	1325	1321	40.35
17	A	1272	1269	38.26
18	A	1196	1194	16.05
19	A	1121	1118	10.24
20	A	1068	1065	17.46
21	A	1034	1031	39.01
22	A	977	974	97.30
23	A	913	911	11.22
24	A	887	885	15.68
25	A	814	812	15.47
26	A	563	561	167.17
27	A	506	504	8.58
28	A	473	472	8.35
29	A	356	356	54.36
30	A	345	344	30.91
31	A	244	244	3.51
32	A	217	216	0.35
33	A	153	152	4.07

Atom	x (Å)	y (Å)	z (Å)
O1	-0.417	1.388	-0.158
H2	0.536	1.618	-0.166
O3	1.961	-0.048	-0.001
H4	2.174	-0.129	0.949
C5	0.714	-0.757	-0.232
H6	0.625	-0.820	-1.325
H7	0.755	-1.779	0.184
C8	-0.470	0.041	0.344
H9	-0.365	0.052	1.453
C10	-1.833	-0.549	-0.024
H11	-1.953	-0.587	-1.117
H12	-1.953	-1.565	0.382
H13	-2.637	0.080	0.381

	O1	H2	O3	H4	C5	H6	H7	C8	H9	C10	H11	H12	H13
O1		0.9798	2.7822	3.1993	2.4259	2.7064	3.3945	1.4385	2.0929	2.4035	2.6799	3.3725	2.6325
H2	0.9798		2.1990	2.6415	2.3824	2.7012	3.4225	1.9389	2.4256	3.2136	3.4584	4.0776	3.5678
O3	2.7822	2.1990		0.9762	1.4522	2.0333	2.1179	2.4571	2.7445	3.8265	4.1051	4.2148	4.6151
H4	3.1993	2.6415	0.9762		1.9795	2.8368	2.3073	2.7178	2.5949	4.1444	4.6374	4.4062	4.8483
C5	2.4259	2.3824	1.4522	1.9795		1.0988	1.1049	1.5399	2.1583	2.5639	2.8151	2.8540	3.5079
H6	2.7064	2.7012	2.0333	2.8368	1.0988		1.7932	2.1743	3.0756	2.7941	2.5967	3.1807	3.7896
H7	3.3945	3.4225	2.1179	2.3073	1.1049	1.7932		2.2000	2.4938	2.8725	3.2316	2.7232	3.8726
C8	1.4385	1.9389	2.4571	2.7178	1.5399	2.1743	2.2000		1.1139	1.5297	2.1739	2.1862	2.1670
H9	2.0929	2.4256	2.7445	2.5949	2.1583	3.0756	2.4938	1.1139		2.1673	3.0874	2.5067	2.5117
C10	2.4035	3.2136	3.8265	4.1444	2.5639	2.7941	2.8725	1.5297	2.1673		1.0998	1.1007	1.0985
H11	2.6799	3.4584	4.1051	4.6374	2.8151	2.5967	3.2316	2.1739	3.0874	1.0998		1.7897	1.7768
H12	3.3725	4.0776	4.2148	4.4062	2.8540	3.1807	2.7232	2.1862	2.5067	1.1007	1.7897		1.7817
H13	2.6325	3.5678	4.6151	4.8483	3.5079	3.7896	3.8726	2.1670	2.5117	1.0985	1.7768	1.7817

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C8	C5	109.029	O1	C8	H9	109.511
O1	C8	C10	108.105	H2	O1	C8	105.012
O3	C5	H6	104.854	O3	C5	H7	111.111
O3	C5	C8	110.374	H4	O3	C5	107.587
C5	C8	H9	107.750	C5	C8	C10	113.287
H6	C5	H7	108.921	H6	C5	C8	109.842
H7	C5	C8	111.516	C8	C10	H11	110.459
C8	C10	H12	111.384	C8	C10	H13	109.993
H9	C8	C10	109.118	H11	C10	H12	108.837
H11	C10	H13	107.853	H12	C10	H13	108.218

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

using model chemistry: BLYP/6-311G*

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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Number	Element	Mulliken
1	O	-0.535
2	H	0.364
3	O	-0.523
4	H	0.366
5	C	-0.225
6	H	0.202
7	H	0.178
8	C	0.015
9	H	0.148
10	C	-0.586
11	H	0.199
12	H	0.187
13	H	0.212

	x	y	z	Total
	0.589	-1.697	1.601	2.406
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	135.184
(<r²>)^1/2	11.627

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

using model chemistry: BLYP/6-311G*

States and conformations

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