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	hartrees
Energy at 0K	-269.437234
Energy at 298.15K	-269.447143
HF Energy	-269.437234
Nuclear repulsion energy	195.932703

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3851	3647	43.17
2	A	3780	3580	52.04
3	A	3174	3006	14.74
4	A	3168	3000	26.92
5	A	3103	2939	60.64
6	A	3087	2923	14.71
7	A	3055	2893	44.46
8	A	3037	2876	36.78
9	A	1542	1461	5.37
10	A	1533	1452	1.19
11	A	1519	1439	8.04
12	A	1490	1411	21.56
13	A	1464	1386	6.55
14	A	1420	1345	1.97
15	A	1405	1330	62.66
16	A	1316	1246	66.45
17	A	1285	1217	3.32
18	A	1275	1207	40.42
19	A	1201	1137	43.15
20	A	1140	1080	64.22
21	A	1136	1076	14.67
22	A	1098	1040	63.14
23	A	967	916	9.67
24	A	961	910	4.03
25	A	867	821	6.49
26	A	537	508	38.22
27	A	511	484	112.40
28	A	483	457	21.20
29	A	375	355	10.20
30	A	342	324	116.97
31	A	267	253	3.03
32	A	233	221	0.37
33	A	165	157	3.84

Atom	x (Å)	y (Å)	z (Å)
C1	1.791	-0.566	0.030
C2	0.459	0.055	-0.342
C3	-0.712	-0.737	0.208
O4	-1.871	-0.010	-0.157
O5	0.429	1.359	0.190
H6	-0.467	1.690	0.035
H7	-2.635	-0.381	0.300
H8	-0.606	-0.802	1.301
H9	-0.713	-1.755	-0.211
H10	0.353	0.083	-1.439
H11	1.894	-0.610	1.119
H12	1.880	-1.578	-0.378
H13	2.606	0.045	-0.366

	C1	C2	C3	O4	O5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5165	2.5149	3.7089	2.3642	3.1921	4.4378	2.7228	2.7826	2.1563	1.0945	1.0942	1.0926
C2	1.5165		1.5167	2.3381	1.4093	1.9162	3.1893	2.1371	2.1604	1.1024	2.1534	2.1650	2.1470
C3	2.5149	1.5167		1.4165	2.3871	2.4455	1.9579	1.1000	1.1004	2.1257	2.7633	2.7867	3.4562
O4	3.7089	2.3381	1.4165		2.6991	2.2126	0.9639	2.0866	2.0952	2.5688	4.0203	4.0716	4.4819
O5	2.3642	1.4093	2.3871	2.6991		0.9677	3.5250	2.6413	3.3415	2.0714	2.6242	3.3250	2.6031
H6	3.1921	1.9162	2.4455	2.2126	0.9677		3.0090	2.7985	3.4623	2.3296	3.4696	4.0443	3.5085
H7	4.4378	3.1893	1.9579	0.9639	3.5250	3.0090		2.3015	2.4169	3.4876	4.6078	4.7196	5.2995
H8	2.7228	2.1371	1.1000	2.0866	2.6413	2.7985	2.3015		1.7899	3.0347	2.5135	3.0978	3.7157
H9	2.7826	2.1604	1.1004	2.0952	3.3415	3.4623	2.4169	1.7899		2.4544	3.1427	2.6046	3.7786
H10	2.1563	1.1024	2.1257	2.5688	2.0714	2.3296	3.4876	3.0347	2.4544		3.0659	2.4935	2.4958
H11	1.0945	2.1534	2.7633	4.0203	2.6242	3.4696	4.6078	2.5135	3.1427	3.0659		1.7824	1.7719
H12	1.0942	2.1650	2.7867	4.0716	3.3250	4.0443	4.7196	3.0978	2.6046	2.4935	1.7824		1.7773
H13	1.0926	2.1470	3.4562	4.4819	2.6031	3.5085	5.2995	3.7157	3.7786	2.4958	1.7719	1.7773

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C8	C5	52.277	O1	C8	H9	72.846
O1	C8	C10	43.570	H2	O1	C8	51.454
O3	C5	H6	81.860	O3	C5	H7	31.880
O3	C5	C8	24.610	H4	O3	C5	86.445
C5	C8	H9	95.984	C5	C8	C10	42.098
H6	C5	H7	50.843	H6	C5	C8	89.090
H7	C5	C8	40.757	C8	C10	H11	48.659
C8	C10	H12	67.340	C8	C10	H13	83.817
H9	C8	C10	53.976	H11	C10	H12	35.547
H11	C10	H13	35.307	H12	C10	H13	41.738

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

using model chemistry: M06-2X/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	C	-0.487
2	C	0.112
3	C	-0.061
4	O	-0.670
5	O	-0.665
6	H	0.426
7	H	0.422
8	H	0.142
9	H	0.139
10	H	0.141
11	H	0.165
12	H	0.153
13	H	0.182

	x	y	z	Total
	-1.523	-2.006	0.544	2.577
CHELPG
AIM
ESP

	x	y	z
x	6.543	-0.171	-0.118
y	-0.171	5.733	0.021
z	-0.118	0.021	5.254

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: M06-2X/6-31G*

States and conformations

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