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	hartrees
Energy at 0K	-266.713320
Energy at 298.15K	-266.723433
Nuclear repulsion energy	196.265764

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3374	3374	3.00
2	A	3086	3086	8.61
3	A	3077	3077	20.96
4	A	3064	3064	13.67
5	A	3053	3053	90.54
6	A	2991	2991	12.74
7	A	2983	2983	28.50
8	A	2811	2811	87.25
9	A	1513	1513	80.98
10	A	1501	1501	40.40
11	A	1476	1476	16.19
12	A	1455	1455	18.02
13	A	1387	1387	26.52
14	A	1356	1356	59.29
15	A	1343	1343	1.83
16	A	1335	1335	11.89
17	A	1290	1290	3.45
18	A	1202	1202	14.80
19	A	1147	1147	12.55
20	A	1105	1105	20.07
21	A	1057	1057	23.20
22	A	1000	1000	61.00
23	A	932	932	11.81
24	A	915	915	35.50
25	A	863	863	29.96
26	A	842	842	93.61
27	A	545	545	23.28
28	A	472	472	22.02
29	A	412	412	88.32
30	A	388	388	10.16
31	A	290	290	1.00
32	A	223	223	0.42
33	A	163	163	8.18

Atom	x (Å)	y (Å)	z (Å)
O1	-0.228	1.353	-0.141
H2	0.797	1.313	-0.233
O3	1.868	-0.067	-0.056
H4	2.123	-0.063	0.918
C5	0.627	-0.836	-0.166
H6	0.470	-0.966	-1.250
H7	0.682	-1.823	0.331
C8	-0.485	0.047	0.383
H9	-0.431	0.012	1.503
C10	-1.844	-0.413	-0.070
H11	-1.868	-0.406	-1.174
H12	-2.071	-1.428	0.303
H13	-2.616	0.285	0.294

	O1	H2	O3	H4	C5	H6	H7	C8	H9	C10	H11	H12	H13
O1		1.0299	2.5332	2.9415	2.3495	2.6632	3.3369	1.4304	2.1314	2.3947	2.6168	3.3649	2.6517
H2	1.0299		1.7563	2.2309	2.1569	2.5171	3.1886	1.9045	2.4933	3.1596	3.3079	4.0031	3.6034
O3	2.5332	1.7563		1.0069	1.4641	2.0460	2.1538	2.3963	2.7791	3.7283	3.9142	4.1826	4.5115
H4	2.9415	2.2309	1.0069		2.0026	2.8716	2.3492	2.6643	2.6212	4.1032	4.5188	4.4529	4.7927
C5	2.3495	2.1569	1.4641	2.0026		1.1033	1.1062	1.5217	2.1499	2.5084	2.7247	2.8010	3.4615
H6	2.6632	2.5171	2.0460	2.8716	1.1033		1.8104	2.1460	3.0575	2.6561	2.4055	3.0134	3.6706
H7	3.3369	3.1886	2.1538	2.3492	1.1062	1.8104		2.2046	2.4454	2.9205	3.2823	2.7811	3.9143
C8	1.4304	1.9045	2.3963	2.6643	1.5217	2.1460	2.2046		1.1218	1.5049	2.1313	2.1670	2.1464
H9	2.1314	2.4933	2.7791	2.6212	2.1499	3.0575	2.4454	1.1218		2.1569	3.0670	2.4905	2.5125
C10	2.3947	3.1596	3.7283	4.1032	2.5084	2.6561	2.9205	1.5049	2.1569		1.1043	1.1043	1.1025
H11	2.6168	3.3079	3.9142	4.5188	2.7247	2.4055	3.2823	2.1313	3.0670	1.1043		1.8071	1.7862
H12	3.3649	4.0031	4.1826	4.4529	2.8010	3.0134	2.7811	2.1670	2.4905	1.1043	1.8071		1.7975
H13	2.6517	3.6034	4.5115	4.7927	3.4615	3.6706	3.9143	2.1464	2.5125	1.1025	1.7862	1.7975

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C8	C5	105.433	O1	C8	H9	112.702
O1	C8	C10	109.317	H2	O1	C8	100.171
O3	C5	H6	104.800	O3	C5	H7	113.107
O3	C5	C8	106.732	H4	O3	C5	106.807
C5	C8	H9	107.873	C5	C8	C10	111.951
H6	C5	H7	110.043	H6	C5	C8	108.630
H7	C5	C8	113.099	C8	C10	H11	108.569
C8	C10	H12	111.385	C8	C10	H13	109.855
H9	C8	C10	109.542	H11	C10	H12	109.810
H11	C10	H13	108.080	H12	C10	H13	109.080

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

using model chemistry: SVWN/3-21G*

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	-0.532
2	H	0.328
3	O	-0.495
4	H	0.358
5	C	-0.265
6	H	0.249
7	H	0.205
8	C	-0.053
9	H	0.168
10	C	-0.620
11	H	0.221
12	H	0.199
13	H	0.237

	x	y	z	Total
	0.889	-2.159	1.584	2.822
CHELPG
AIM
ESP

	x	y	z
x	6.301	0.194	0.197
y	0.194	5.591	-0.202
z	0.197	-0.202	5.350

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: SVWN/3-21G*

States and conformations

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