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	hartrees
Energy at 0K	-269.273406
Energy at 298.15K
HF Energy	-269.020457
Nuclear repulsion energy	195.096864

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3757	3564	18.23
2	A	3709	3519	45.15
3	A	3176	3013	19.89
4	A	3164	3002	38.92
5	A	3153	2991	15.58
6	A	3088	2929	19.13
7	A	3064	2907	43.33
8	A	2970	2817	79.81
9	A	1552	1472	2.08
10	A	1543	1464	2.21
11	A	1536	1457	4.19
12	A	1488	1412	29.55
13	A	1454	1379	26.41
14	A	1428	1355	24.16
15	A	1417	1344	11.38
16	A	1385	1314	47.58
17	A	1328	1260	48.32
18	A	1253	1189	16.62
19	A	1200	1139	16.12
20	A	1114	1057	26.77
21	A	1106	1049	17.65
22	A	1065	1011	112.16
23	A	964	915	3.10
24	A	944	895	18.90
25	A	868	823	13.11
26	A	565	536	157.83
27	A	527	500	23.02
28	A	491	465	5.72
29	A	368	349	29.12
30	A	349	331	63.80
31	A	256	243	3.06
32	A	232	220	0.39
33	A	158	150	3.84

Atom	x (Å)	y (Å)	z (Å)
O1	-0.433	1.372	-0.159
H2	0.497	1.646	-0.127
O3	1.940	-0.046	0.002
H4	2.182	-0.174	0.930
C5	0.715	-0.733	-0.236
H6	0.610	-0.781	-1.322
H7	0.734	-1.760	0.155
C8	-0.461	0.049	0.341
H9	-0.352	0.054	1.441
C10	-1.805	-0.562	-0.020
H11	-1.919	-0.601	-1.106
H12	-1.897	-1.574	0.384
H13	-2.613	0.051	0.386

	O1	H2	O3	H4	C5	H6	H7	C8	H9	C10	H11	H12	H13
O1		0.9699	2.7692	3.2272	2.3991	2.6603	3.3573	1.4150	2.0751	2.3753	2.6459	3.3349	2.6074
H2	0.9699		2.2278	2.6966	2.3920	2.7082	3.4264	1.9207	2.3911	3.1914	3.4421	4.0456	3.5333
O3	2.7692	2.2278		0.9671	1.4251	2.0166	2.1021	2.4271	2.7086	3.7804	4.0538	4.1485	4.5706
H4	3.2272	2.6966	0.9671		1.9553	2.8131	2.2833	2.7169	2.5953	4.1163	4.5986	4.3470	4.8310
C5	2.3991	2.3920	1.4251	1.9553		1.0928	1.0989	1.5259	2.1381	2.5346	2.7773	2.8135	3.4751
H6	2.6603	2.7082	2.0166	2.8131	1.0928		1.7764	2.1460	3.0434	2.7522	2.5445	3.1349	3.7412
H7	3.3573	3.4264	2.1021	2.2833	1.0989	1.7764		2.1762	2.4752	2.8123	3.1576	2.6475	3.8121
C8	1.4150	1.9207	2.4271	2.7169	1.5259	2.1460	2.1762		1.1052	1.5194	2.1553	2.1678	2.1525
H9	2.0751	2.3911	2.7086	2.5953	2.1381	3.0434	2.4752	1.1052		2.1502	3.0620	2.4811	2.4952
C10	2.3753	3.1914	3.7804	4.1163	2.5346	2.7522	2.8123	1.5194	2.1502		1.0934	1.0940	1.0921
H11	2.6459	3.4421	4.0538	4.5986	2.7773	2.5445	3.1576	2.1553	3.0620	1.0934		1.7803	1.7700
H12	3.3349	4.0456	4.1485	4.3470	2.8135	3.1349	2.6475	2.1678	2.4811	1.0940	1.7803		1.7752
H13	2.6074	3.5333	4.5706	4.8310	3.4751	3.7412	3.8121	2.1525	2.4952	1.0921	1.7700	1.7752

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C8	C5	109.270	O1	C8	H9	110.245
O1	C8	C10	108.028	H2	O1	C8	105.772
O3	C5	H6	105.672	O3	C5	H7	112.138
O3	C5	C8	110.623	H4	O3	C5	108.111
C5	C8	H9	107.633	C5	C8	C10	112.669
H6	C5	H7	108.287	H6	C5	C8	108.944
H7	C5	C8	110.967	C8	C10	H11	110.083
C8	C10	H12	111.049	C8	C10	H13	109.938
H9	C8	C10	108.996	H11	C10	H12	108.957
H11	C10	H13	108.159	H12	C10	H13	108.589

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

using model chemistry: B2PLYP=FULLultrafine/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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All results from a given calculation for C3H8O2 (Propylene glycol)

using model chemistry: B2PLYP=FULLultrafine/6-31G*

States and conformations

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