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	hartrees
Energy at 0K	-267.970146
Energy at 298.15K	-267.979990
Nuclear repulsion energy	191.945546

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3282	3261	2.05
2	A	3131	3111	38.17
3	A	3058	3038	41.93
4	A	3053	3033	11.06
5	A	3046	3026	17.39
6	A	2982	2962	20.80
7	A	2963	2943	42.98
8	A	2829	2811	88.06
9	A	1534	1524	3.93
10	A	1513	1504	3.79
11	A	1502	1493	6.92
12	A	1443	1433	83.00
13	A	1418	1409	10.94
14	A	1365	1356	26.82
15	A	1352	1343	10.30
16	A	1341	1333	30.98
17	A	1300	1292	9.50
18	A	1199	1191	13.37
19	A	1120	1112	1.84
20	A	1073	1066	13.42
21	A	1012	1006	35.81
22	A	940	934	20.48
23	A	912	906	37.54
24	A	873	868	15.49
25	A	808	803	11.28
26	A	710	705	129.38
27	A	511	507	19.42
28	A	458	455	20.73
29	A	391	389	62.58
30	A	349	347	11.28
31	A	262	260	2.35
32	A	217	216	0.28
33	A	147	146	5.19

Atom	x (Å)	y (Å)	z (Å)
O1	-0.304	1.393	-0.146
H2	0.714	1.442	-0.218
O3	1.941	-0.055	-0.045
H4	2.167	-0.070	0.941
C5	0.666	-0.833	-0.185
H6	0.540	-0.947	-1.271
H7	0.726	-1.825	0.298
C8	-0.488	0.033	0.382
H9	-0.424	0.010	1.495
C10	-1.874	-0.465	-0.062
H11	-1.922	-0.470	-1.163
H12	-2.074	-1.479	0.324
H13	-2.648	0.221	0.315

	O1	H2	O3	H4	C5	H6	H7	C8	H9	C10	H11	H12	H13
O1		1.0217	2.6729	3.0703	2.4285	2.7298	3.4075	1.4703	2.1496	2.4347	2.6696	3.4063	2.6615
H2	1.0217		1.9430	2.3961	2.2761	2.6165	3.3075	1.9472	2.5067	3.2193	3.3916	4.0745	3.6170
O3	2.6729	1.9430		1.0119	1.5003	2.0639	2.1742	2.4681	2.8234	3.8373	4.0431	4.2760	4.6117
H4	3.0703	2.3961	1.0119		2.0253	2.8820	2.3598	2.7155	2.6512	4.1826	4.6161	4.5112	4.8647
C5	2.4285	2.2761	1.5003	2.0253		1.0989	1.1044	1.5504	2.1727	2.5696	2.7906	2.8606	3.5136
H6	2.7298	2.6165	2.0639	2.8820	1.0989		1.8067	2.1789	3.0811	2.7422	2.5102	3.1075	3.7471
H7	3.4075	3.3075	2.1742	2.3598	1.1044	1.8067		2.2210	2.4742	2.9559	3.3135	2.8212	3.9459
C8	1.4703	1.9472	2.4681	2.7155	1.5504	2.1789	2.2210		1.1154	1.5384	2.1670	2.1919	2.1693
H9	2.1496	2.5067	2.8234	2.6512	2.1727	3.0811	2.4742	1.1154		2.1802	3.0885	2.5119	2.5269
C10	2.4347	3.2193	3.8373	4.1826	2.5696	2.7422	2.9559	1.5384	2.1802		1.1016	1.1028	1.1010
H11	2.6696	3.3916	4.0431	4.6161	2.7906	2.5102	3.3135	2.1670	3.0885	1.1016		1.8027	1.7853
H12	3.4063	4.0745	4.2760	4.5112	2.8606	3.1075	2.8212	2.1919	2.5119	1.1028	1.8027		1.7944
H13	2.6615	3.6170	4.6117	4.8647	3.5136	3.7471	3.9459	2.1693	2.5269	1.1010	1.7853	1.7944

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C8	C5	106.991	O1	C8	H9	111.744
O1	C8	C10	108.018	H2	O1	C8	101.241
O3	C5	H6	104.062	O3	C5	H7	112.285
O3	C5	C8	107.990	H4	O3	C5	105.805
C5	C8	H9	108.076	C5	C8	C10	112.592
H6	C5	H7	110.169	H6	C5	C8	109.480
H7	C5	C8	112.488	C8	C10	H11	109.218
C8	C10	H12	111.104	C8	C10	H13	109.433
H9	C8	C10	109.445	H11	C10	H12	109.724
H11	C10	H13	108.295	H12	C10	H13	109.017

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

using model chemistry: BLYP/3-21G*

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	-0.521
2	H	0.309
3	O	-0.483
4	H	0.323
5	C	-0.181
6	H	0.210
7	H	0.166
8	C	0.002
9	H	0.141
10	C	-0.516
11	H	0.186
12	H	0.164
13	H	0.198

	x	y	z	Total
	0.673	-2.003	1.513	2.599
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>	134.492
(<r²>)^1/2	11.597

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

using model chemistry: BLYP/3-21G*

States and conformations

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