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	hartrees
Energy at 0K	-269.483708
Energy at 298.15K	-269.493401
Nuclear repulsion energy	193.267900

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3650	3630	10.08
2	A	3584	3565	37.30
3	A	3042	3026	21.34
4	A	3034	3018	33.38
5	A	3005	2989	24.22
6	A	2967	2951	19.57
7	A	2923	2907	50.61
8	A	2812	2796	81.94
9	A	1465	1457	0.97
10	A	1451	1443	2.84
11	A	1446	1439	3.57
12	A	1401	1394	43.96
13	A	1375	1367	34.15
14	A	1361	1354	8.93
15	A	1339	1332	2.81
16	A	1320	1312	43.60
17	A	1267	1260	28.43
18	A	1189	1182	12.69
19	A	1123	1117	16.46
20	A	1061	1055	11.27
21	A	1034	1028	24.90
22	A	988	982	100.81
23	A	908	903	8.18
24	A	886	881	13.59
25	A	814	809	12.47
26	A	547	544	115.68
27	A	504	502	9.12
28	A	466	463	6.70
29	A	351	349	34.39
30	A	341	339	37.65
31	A	246	244	2.29
32	A	211	210	0.26
33	A	148	147	3.25

Atom	x (Å)	y (Å)	z (Å)
O1	-0.407	1.390	-0.156
H2	0.549	1.593	-0.188
O3	1.957	-0.054	-0.011
H4	2.149	-0.087	0.944
C5	0.713	-0.762	-0.217
H6	0.613	-0.855	-1.310
H7	0.746	-1.778	0.221
C8	-0.471	0.049	0.347
H9	-0.378	0.055	1.459
C10	-1.833	-0.545	-0.032
H11	-1.940	-0.595	-1.127
H12	-1.951	-1.558	0.384
H13	-2.643	0.087	0.361

	O1	H2	O3	H4	C5	H6	H7	C8	H9	C10	H11	H12	H13
O1		0.9782	2.7740	3.1500	2.4267	2.7225	3.3919	1.4329	2.0951	2.4064	2.6893	3.3712	2.6392
H2	0.9782		2.1739	2.5808	2.3609	2.6937	3.4010	1.9261	2.4364	3.2044	3.4447	4.0627	3.5722
O3	2.7740	2.1739		0.9742	1.4462	2.0337	2.1190	2.4567	2.7612	3.8213	4.0895	4.2055	4.6170
H4	3.1500	2.5808	0.9742		1.9662	2.8338	2.3128	2.6909	2.5829	4.1249	4.6114	4.3914	4.8301
C5	2.4267	2.3609	1.4462	1.9662		1.1019	1.1065	1.5424	2.1602	2.5614	2.8094	2.8440	3.5094
H6	2.7225	2.6937	2.0337	2.8338	1.1019		1.7932	2.1772	3.0789	2.7772	2.5728	3.1524	3.7793
H7	3.3919	3.4010	2.1190	2.3128	1.1065	1.7932		2.1992	2.4809	2.8695	3.2296	2.7104	3.8704
C8	1.4329	1.9261	2.4567	2.6909	1.5424	2.1772	2.1992		1.1160	1.5329	2.1780	2.1850	2.1718
H9	2.0951	2.4364	2.7612	2.5829	2.1602	3.0789	2.4809	1.1160		2.1674	3.0899	2.4963	2.5167
C10	2.4064	3.2044	3.8213	4.1249	2.5614	2.7772	2.8695	1.5329	2.1674		1.1013	1.1016	1.0999
H11	2.6893	3.4447	4.0895	4.6114	2.8094	2.5728	3.2296	2.1780	3.0899	1.1013		1.7913	1.7815
H12	3.3712	4.0627	4.2055	4.3914	2.8440	3.1524	2.7104	2.1850	2.4963	1.1016	1.7913		1.7848
H13	2.6392	3.5722	4.6170	4.8301	3.5094	3.7793	3.8704	2.1718	2.5167	1.0999	1.7815	1.7848

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C8	C5	109.239	O1	C8	H9	109.939
O1	C8	C10	108.417	H2	O1	C8	104.451
O3	C5	H6	105.099	O3	C5	H7	111.520
O3	C5	C8	110.536	H4	O3	C5	107.030
C5	C8	H9	107.626	C5	C8	C10	112.799
H6	C5	H7	108.581	H6	C5	C8	109.725
H7	C5	C8	111.177	C8	C10	H11	110.476
C8	C10	H12	111.014	C8	C10	H13	110.073
H9	C8	C10	108.802	H11	C10	H12	108.816
H11	C10	H13	108.057	H12	C10	H13	108.325

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

using model chemistry: BLYP/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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Number	Element	Mulliken
1	O	-0.390
2	H	0.260
3	O	-0.371
4	H	0.268
5	C	-0.085
6	H	0.103
7	H	0.077
8	C	0.138
9	H	0.030
10	C	-0.347
11	H	0.108
12	H	0.095
13	H	0.114

	x	y	z	Total
	0.497	-1.471	1.340	2.051
CHELPG
AIM
ESP

	x	y	z
x	7.234	0.224	0.169
y	0.224	6.398	-0.074
z	0.169	-0.074	5.980

<r²>	134.293
(<r²>)^1/2	11.588

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

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

States and conformations

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