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	hartrees
Energy at 0K	-269.452376
Energy at 298.15K	-269.462109
HF Energy	-269.452376
Nuclear repulsion energy	192.951731

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3565	3537	4.93
2	A	3502	3474	31.27
3	A	3051	3026	24.96
4	A	3041	3017	43.90
5	A	3028	3003	18.45
6	A	2976	2952	21.51
7	A	2936	2913	56.08
8	A	2821	2798	92.72
9	A	1496	1483	1.51
10	A	1481	1469	2.94
11	A	1476	1464	2.29
12	A	1420	1409	39.68
13	A	1397	1385	22.63
14	A	1378	1366	28.08
15	A	1356	1345	6.06
16	A	1333	1322	47.63
17	A	1279	1269	35.25
18	A	1200	1190	14.00
19	A	1132	1123	13.52
20	A	1070	1061	15.00
21	A	1041	1032	28.98
22	A	991	983	99.08
23	A	918	911	9.19
24	A	895	888	14.68
25	A	820	814	13.48
26	A	565	561	145.83
27	A	509	505	6.83
28	A	472	468	7.78
29	A	359	356	66.59
30	A	347	344	12.91
31	A	245	243	2.84
32	A	223	221	0.24
33	A	152	151	3.76

Atom	x (Å)	y (Å)	z (Å)
O1	-0.453	1.389	-0.160
H2	0.482	1.676	-0.125
O3	1.970	-0.045	0.005
H4	2.211	-0.177	0.942
C5	0.731	-0.733	-0.240
H6	0.632	-0.781	-1.336
H7	0.748	-1.771	0.149
C8	-0.468	0.051	0.339
H9	-0.357	0.054	1.449
C10	-1.822	-0.579	-0.018
H11	-1.948	-0.624	-1.112
H12	-1.906	-1.600	0.391
H13	-2.644	0.027	0.394

	O1	H2	O3	H4	C5	H6	H7	C8	H9	C10	H11	H12	H13
O1		0.9790	2.8210	3.2813	2.4315	2.6968	3.3950	1.4279	2.0933	2.4017	2.6820	3.3685	2.6378
H2	0.9790		2.2785	2.7492	2.4239	2.7435	3.4677	1.9378	2.4105	3.2257	3.4884	4.0859	3.5713
O3	2.8210	2.2785		0.9762	1.4383	2.0326	2.1203	2.4627	2.7413	3.8300	4.1157	4.1940	4.6308
H4	3.2813	2.7492	0.9762		1.9736	2.8368	2.3047	2.7554	2.6285	4.1654	4.6604	4.3905	4.8898
C5	2.4315	2.4239	1.4383	1.9736		1.1022	1.1088	1.5450	2.1580	2.5675	2.8201	2.8463	3.5167
H6	2.6968	2.7435	2.0326	2.8368	1.1022		1.7888	2.1702	3.0721	2.7934	2.5951	3.1770	3.7918
H7	3.3950	3.4677	2.1203	2.3047	1.1088	1.7888		2.1988	2.4987	2.8377	3.1900	2.6698	3.8464
C8	1.4279	1.9378	2.4627	2.7554	1.5450	2.1702	2.1988		1.1160	1.5360	2.1802	2.1901	2.1766
H9	2.0933	2.4105	2.7413	2.6285	2.1580	3.0721	2.4987	1.1160		2.1679	3.0907	2.5008	2.5182
C10	2.4017	3.2257	3.8300	4.1654	2.5675	2.7934	2.8377	1.5360	2.1679		1.1023	1.1025	1.1010
H11	2.6820	3.4884	4.1157	4.6604	2.8201	2.5951	3.1900	2.1802	3.0907	1.1023		1.7924	1.7819
H12	3.3685	4.0859	4.1940	4.3905	2.8463	3.1770	2.6698	2.1901	2.5008	1.1025	1.7924		1.7867
H13	2.6378	3.5713	4.6308	4.8898	3.5167	3.7918	3.8464	2.1766	2.5182	1.1010	1.7819	1.7867

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C8	C5	109.685	O1	C8	H9	110.142
O1	C8	C10	108.198	H2	O1	C8	105.721
O3	C5	H6	105.513	O3	C5	H7	112.052
O3	C5	C8	111.232	H4	O3	C5	108.122
C5	C8	H9	107.287	C5	C8	C10	112.885
H6	C5	H7	108.004	H6	C5	C8	108.982
H7	C5	C8	110.826	C8	C10	H11	110.375
C8	C10	H12	111.144	C8	C10	H13	110.165
H9	C8	C10	108.631	H11	C10	H12	108.771
H11	C10	H13	107.945	H12	C10	H13	108.356

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

using model chemistry: BLYP/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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Number	Element	Mulliken
1	O	-0.594
2	H	0.372
3	O	-0.576
4	H	0.373
5	C	-0.054
6	H	0.142
7	H	0.111
8	C	0.147
9	H	0.078
10	C	-0.411
11	H	0.140
12	H	0.124
13	H	0.149

	x	y	z	Total
	0.515	-1.602	1.466	2.232
CHELPG
AIM
ESP

	x	y	z
x	6.838	0.232	0.189
y	0.232	6.093	-0.119
z	0.189	-0.119	5.721

<r²>	134.671
(<r²>)^1/2	11.605

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

using model chemistry: BLYP/6-31G*

States and conformations

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