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	hartrees
Energy at 0K	-268.253668
Energy at 298.15K	-268.263614
Nuclear repulsion energy	197.426899

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3662	3627	15.40
2	A	3509	3476	62.09
3	A	3066	3036	11.18
4	A	3054	3025	21.87
5	A	3024	2995	20.92
6	A	2973	2944	14.93
7	A	2942	2913	44.97
8	A	2809	2782	91.66
9	A	1450	1436	3.99
10	A	1441	1427	41.28
11	A	1426	1412	17.80
12	A	1410	1396	20.99
13	A	1362	1349	66.21
14	A	1344	1331	4.91
15	A	1327	1315	4.48
16	A	1313	1300	52.89
17	A	1256	1244	29.03
18	A	1194	1182	18.66
19	A	1174	1163	33.20
20	A	1099	1088	28.87
21	A	1071	1061	16.42
22	A	1050	1040	106.96
23	A	925	916	6.02
24	A	903	894	16.15
25	A	853	845	13.46
26	A	663	657	162.55
27	A	540	535	8.47
28	A	480	475	10.34
29	A	377	374	88.69
30	A	360	357	17.05
31	A	259	257	1.80
32	A	221	219	0.43
33	A	168	166	7.84

Atom	x (Å)	y (Å)	z (Å)
O1	-0.338	1.351	-0.152
H2	0.635	1.495	-0.202
O3	1.888	-0.063	-0.014
H4	2.109	-0.098	0.935
C5	0.675	-0.766	-0.208
H6	0.556	-0.853	-1.302
H7	0.708	-1.783	0.228
C8	-0.465	0.050	0.346
H9	-0.367	0.051	1.462
C10	-1.807	-0.492	-0.033
H11	-1.903	-0.512	-1.131
H12	-1.960	-1.510	0.358
H13	-2.605	0.154	0.361

	O1	H2	O3	H4	C5	H6	H7	C8	H9	C10	H11	H12	H13
O1		0.9844	2.6414	3.0443	2.3478	2.6417	3.3264	1.3995	2.0730	2.3600	2.6225	3.3290	2.6145
H2	0.9844		2.0090	2.4500	2.2613	2.5938	3.3073	1.8971	2.4203	3.1523	3.3656	4.0100	3.5510
O3	2.6414	2.0090		0.9750	1.4152	2.0141	2.0998	2.3836	2.6981	3.7199	3.9774	4.1284	4.5142
H4	3.0443	2.4500	0.9750		1.9517	2.8258	2.3026	2.6446	2.5358	4.0529	4.5312	4.3458	4.7554
C5	2.3478	2.2613	1.4152	1.9517		1.1034	1.1077	1.5075	2.1315	2.5031	2.7497	2.7964	3.4539
H6	2.6417	2.5938	2.0141	2.8258	1.1034		1.7975	2.1382	3.0507	2.7055	2.4876	3.0850	3.7105
H7	3.3264	3.3073	2.0998	2.3026	1.1077	1.7975		2.1796	2.4581	2.8394	3.2067	2.6855	3.8405
C8	1.3995	1.8971	2.3836	2.6446	1.5075	2.1382	2.1796		1.1203	1.4958	2.1363	2.1609	2.1425
H9	2.0730	2.4203	2.6981	2.5358	2.1315	3.0507	2.4581	1.1203		2.1457	3.0659	2.4888	2.4964
C10	2.3600	3.1523	3.7199	4.0529	2.5031	2.7055	2.8394	1.4958	2.1457		1.1022	1.1020	1.1000
H11	2.6225	3.3656	3.9774	4.5312	2.7497	2.4876	3.2067	2.1363	3.0659	1.1022		1.7945	1.7785
H12	3.3290	4.0100	4.1284	4.3458	2.7964	3.0850	2.6855	2.1609	2.4888	1.1020	1.7945		1.7852
H13	2.6145	3.5510	4.5142	4.7554	3.4539	3.7105	3.8405	2.1425	2.4964	1.1000	1.7785	1.7852

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C8	C5	107.670	O1	C8	H9	110.216
O1	C8	C10	109.150	H2	O1	C8	104.103
O3	C5	H6	105.531	O3	C5	H7	112.092
O3	C5	C8	109.237	H4	O3	C5	108.059
C5	C8	H9	107.499	C5	C8	C10	112.905
H6	C5	H7	108.766	H6	C5	C8	108.971
H7	C5	C8	111.999	C8	C10	H11	109.698
C8	C10	H12	111.673	C8	C10	H13	110.316
H9	C8	C10	109.369	H11	C10	H12	108.998
H11	C10	H13	107.720	H12	C10	H13	108.336

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

using model chemistry: SVWN/6-311G*

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	-0.520
2	H	0.387
3	O	-0.524
4	H	0.398
5	C	-0.339
6	H	0.247
7	H	0.223
8	C	-0.094
9	H	0.192
10	C	-0.705
11	H	0.243
12	H	0.231
13	H	0.260

	x	y	z	Total
	0.706	-1.752	1.618	2.487
CHELPG
AIM
ESP

	x	y	z
x	7.257	0.174	0.167
y	0.174	6.480	-0.067
z	0.167	-0.067	6.288

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: SVWN/6-311G*

States and conformations

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