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	hartrees
Energy at 0K	-269.267212
Energy at 298.15K	-269.276986
HF Energy	-269.020555
Nuclear repulsion energy	195.268650

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3795	3602	28.96
2	A	3732	3542	40.14
3	A	3176	3015	19.45
4	A	3163	3003	32.41
5	A	3091	2934	63.60
6	A	3088	2931	18.22
7	A	3043	2888	46.00
8	A	3021	2867	41.54
9	A	1558	1479	5.00
10	A	1552	1473	2.06
11	A	1537	1459	4.60
12	A	1496	1420	18.49
13	A	1472	1397	7.96
14	A	1436	1363	5.09
15	A	1417	1345	45.81
16	A	1325	1257	64.64
17	A	1288	1223	2.58
18	A	1279	1214	41.67
19	A	1186	1126	19.43
20	A	1142	1084	37.78
21	A	1110	1054	25.78
22	A	1073	1019	100.52
23	A	971	921	4.15
24	A	959	910	10.50
25	A	861	817	8.91
26	A	530	503	37.79
27	A	502	476	96.36
28	A	482	458	30.00
29	A	370	351	8.89
30	A	269	255	89.53
31	A	259	245	27.95
32	A	232	220	0.87
33	A	158	150	3.83

Atom	x (Å)	y (Å)	z (Å)
C1	1.793	-0.577	0.027
C2	0.460	0.053	-0.339
C3	-0.719	-0.734	0.212
O4	-1.884	-0.006	-0.161
O5	0.446	1.366	0.190
H6	-0.448	1.704	0.037
H7	-2.647	-0.379	0.298
H8	-0.618	-0.796	1.305
H9	-0.722	-1.754	-0.199
H10	0.353	0.077	-1.435
H11	1.905	-0.622	1.114
H12	1.873	-1.589	-0.380
H13	2.609	0.026	-0.376

	C1	C2	C3	O4	O5	H6	H7	H8	H9	H10	H11	H12	H13
C1		1.5192	2.5239	3.7261	2.3702	3.1978	4.4523	2.7369	2.7858	2.1539	1.0936	1.0938	1.0921
C2	1.5192		1.5206	2.3516	1.4163	1.9214	3.2004	2.1407	2.1631	1.1015	2.1574	2.1666	2.1502
C3	2.5239	1.5206		1.4235	2.4021	2.4585	1.9616	1.0988	1.0998	2.1258	2.7774	2.7931	3.4645
O4	3.7261	2.3516	1.4235		2.7275	2.2413	0.9650	2.0923	2.0991	2.5756	4.0455	4.0829	4.4990
O5	2.3702	1.4163	2.4021	2.7275		0.9683	3.5534	2.6558	3.3544	2.0765	2.6333	3.3311	2.6069
H6	3.1978	1.9214	2.4585	2.2413	0.9683		3.0394	2.8081	3.4760	2.3355	3.4792	4.0503	3.5122
H7	4.4523	3.2004	1.9616	0.9650	3.5534	3.0394		2.3032	2.4167	3.4939	4.6309	4.7275	5.3146
H8	2.7369	2.1407	1.0988	2.0923	2.6558	2.8081	2.3032		1.7856	3.0346	2.5362	3.1094	3.7300
H9	2.7858	2.1631	1.0998	2.0991	3.3544	3.4760	2.4167	1.7856		2.4561	3.1481	2.6064	3.7812
H10	2.1539	1.1015	2.1258	2.5756	2.0765	2.3355	3.4939	3.0346	2.4561		3.0650	2.4898	2.4935
H11	1.0936	2.1574	2.7774	4.0455	2.6333	3.4792	4.6309	2.5362	3.1481	3.0650		1.7804	1.7701
H12	1.0938	2.1666	2.7931	4.0829	3.3311	4.0503	4.7275	3.1094	2.6064	2.4898	1.7804		1.7753
H13	1.0921	2.1502	3.4645	4.4990	2.6069	3.5122	5.3146	3.7300	3.7812	2.4935	1.7701	1.7753

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C8	C5	52.121	O1	C8	H9	72.627
O1	C8	C10	43.444	H2	O1	C8	51.153
O3	C5	H6	81.797	O3	C5	H7	31.545
O3	C5	C8	24.437	H4	O3	C5	87.007
C5	C8	H9	96.115	C5	C8	C10	42.149
H6	C5	H7	51.051	H6	C5	C8	88.823
H7	C5	C8	40.392	C8	C10	H11	49.135
C8	C10	H12	67.677	C8	C10	H13	84.260
H9	C8	C10	54.035	H11	C10	H12	35.513
H11	C10	H13	35.275	H12	C10	H13	41.739

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

using model chemistry: B2PLYP/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	-0.472
2	C	0.151
3	C	-0.035
4	O	-0.691
5	O	-0.693
6	H	0.428
7	H	0.420
8	H	0.140
9	H	0.136
10	H	0.137
11	H	0.160
12	H	0.146
13	H	0.175

	x	y	z
x	6.569	-0.171	-0.140
y	-0.171	5.754	0.022
z	-0.140	0.022	5.192

<r²>	131.704
(<r²>)^1/2	11.476

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

using model chemistry: B2PLYP/6-31G*

States and conformations

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