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	hartrees
Energy at 0K	-269.579971
Energy at 298.15K
Nuclear repulsion energy	193.009347

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3657	3646	15.63
2	A	3602	3591	35.12
3	A	3032	3023	22.44
4	A	3023	3014	38.45
5	A	3005	2996	19.23
6	A	2964	2955	22.71
7	A	2929	2921	48.20
8	A	2836	2827	74.17
9	A	1468	1463	2.33
10	A	1455	1451	4.99
11	A	1449	1445	1.61
12	A	1389	1384	32.07
13	A	1374	1370	18.83
14	A	1356	1352	22.77
15	A	1335	1331	1.71
16	A	1313	1309	30.18
17	A	1260	1256	42.67
18	A	1187	1184	13.95
19	A	1114	1111	11.87
20	A	1059	1056	15.13
21	A	1022	1019	33.92
22	A	973	970	106.13
23	A	907	904	10.23
24	A	880	878	15.29
25	A	809	807	16.34
26	A	514	513	65.53
27	A	483	481	74.04
28	A	467	466	4.18
29	A	349	348	13.20
30	A	309	309	60.46
31	A	240	239	3.28
32	A	210	210	0.35
33	A	143	143	3.71

Atom	x (Å)	y (Å)	z (Å)
O1	-0.444	1.395	-0.156
H2	0.497	1.658	-0.161
O3	1.969	-0.048	-0.000
H4	2.191	-0.141	0.942
C5	0.718	-0.743	-0.234
H6	0.624	-0.806	-1.325
H7	0.748	-1.764	0.178
C8	-0.469	0.044	0.343
H9	-0.366	0.058	1.447
C10	-1.819	-0.572	-0.023
H11	-1.939	-0.612	-1.113
H12	-1.910	-1.587	0.382
H13	-2.632	0.037	0.387

	O1	H2	O3	H4	C5	H6	H7	C8	H9	C10	H11	H12	H13
O1		0.9764	2.8157	3.2420	2.4342	2.7112	3.3928	1.4402	2.0892	2.4032	2.6796	3.3668	2.6322
H2	0.9764		2.2589	2.7065	2.4116	2.7276	3.4474	1.9463	2.4266	3.2169	3.4627	4.0765	3.5659
O3	2.8157	2.2589		0.9730	1.4504	2.0341	2.1135	2.4635	2.7491	3.8239	4.1022	4.1914	4.6184
H4	3.2420	2.7065	0.9730		1.9790	2.8349	2.3019	2.7329	2.6139	4.1469	4.6370	4.3851	4.8587
C5	2.4342	2.4116	1.4504	1.9790		1.0968	1.1015	1.5359	2.1540	2.5508	2.8011	2.8285	3.4950
H6	2.7112	2.7276	2.0341	2.8349	1.0968		1.7865	2.1674	3.0674	2.7779	2.5789	3.1543	3.7741
H7	3.3928	3.4474	2.1135	2.3019	1.1015	1.7865		2.1856	2.4838	2.8375	3.1956	2.6725	3.8360
C8	1.4402	1.9463	2.4635	2.7329	1.5359	2.1674	2.1856		1.1092	1.5283	2.1706	2.1778	2.1642
H9	2.0892	2.4266	2.7491	2.6139	2.1540	3.0674	2.4838	1.1092		2.1607	3.0784	2.4952	2.5024
C10	2.4032	3.2169	3.8239	4.1469	2.5508	2.7779	2.8375	1.5283	2.1607		1.0970	1.0975	1.0956
H11	2.6796	3.4627	4.1022	4.6370	2.8011	2.5789	3.1956	2.1706	3.0784	1.0970		1.7850	1.7752
H12	3.3668	4.0765	4.1914	4.3851	2.8285	3.1543	2.6725	2.1778	2.4952	1.0975	1.7850		1.7774
H13	2.6322	3.5659	4.6184	4.8587	3.4950	3.7741	3.8360	2.1642	2.5024	1.0956	1.7752	1.7774

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C8	C5	109.710	O1	C8	H9	109.384
O1	C8	C10	108.068	H2	O1	C8	105.688
O3	C5	H6	105.145	O3	C5	H7	111.101
O3	C5	C8	111.129	H4	O3	C5	107.872
C5	C8	H9	107.960	C5	C8	C10	112.701
H6	C5	H7	108.721	H6	C5	C8	109.699
H7	C5	C8	110.860	C8	C10	H11	110.461
C8	C10	H12	111.001	C8	C10	H13	110.038
H9	C8	C10	108.979	H11	C10	H12	108.857
H11	C10	H13	108.124	H12	C10	H13	108.280

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

using model chemistry: BLYP/cc-pVTZ

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	-0.349
2	H	0.190
3	O	-0.342
4	H	0.197
5	C	0.011
6	H	0.083
7	H	0.054
8	C	0.135
9	H	0.030
10	C	-0.268
11	H	0.085
12	H	0.075
13	H	0.098

	x	y	z	Total
	0.465	-1.617	1.448	2.220
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>	135.385
(<r²>)^1/2	11.636

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

using model chemistry: BLYP/cc-pVTZ

States and conformations

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