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	hartrees
Energy at 0K	-268.079823
Energy at 298.15K	-268.089778
Nuclear repulsion energy	193.699537

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3460	3328	1.29
2	A	3353	3226	36.95
3	A	3140	3020	36.73
4	A	3135	3016	12.22
5	A	3127	3008	14.57
6	A	3060	2944	21.48
7	A	3051	2935	31.71
8	A	2941	2829	74.89
9	A	1569	1510	5.03
10	A	1550	1491	4.77
11	A	1544	1485	5.13
12	A	1476	1420	71.03
13	A	1460	1404	14.24
14	A	1403	1350	16.90
15	A	1392	1339	15.43
16	A	1384	1331	41.07
17	A	1340	1289	21.18
18	A	1237	1190	15.97
19	A	1165	1121	3.48
20	A	1105	1063	16.22
21	A	1056	1016	39.21
22	A	995	957	53.19
23	A	951	915	17.17
24	A	916	881	16.47
25	A	843	811	12.33
26	A	691	665	153.30
27	A	523	503	15.57
28	A	470	452	19.68
29	A	385	370	85.15
30	A	359	345	11.39
31	A	266	255	2.87
32	A	223	214	0.33
33	A	151	146	5.29

Atom	x (Å)	y (Å)	z (Å)
O1	-0.314	1.381	-0.146
H2	0.684	1.469	-0.221
O3	1.923	-0.055	-0.036
H4	2.175	-0.096	0.927
C5	0.666	-0.815	-0.193
H6	0.538	-0.914	-1.273
H7	0.717	-1.808	0.269
C8	-0.480	0.034	0.377
H9	-0.409	0.019	1.480
C10	-1.853	-0.473	-0.055
H11	-1.909	-0.475	-1.148
H12	-2.039	-1.483	0.326
H13	-2.627	0.199	0.326

	O1	H2	O3	H4	C5	H6	H7	C8	H9	C10	H11	H12	H13
O1		1.0042	2.6605	3.0871	2.4054	2.6954	3.3775	1.4546	2.1234	2.4118	2.6448	3.3772	2.6404
H2	1.0042		1.9730	2.4483	2.2844	2.6095	3.3139	1.9420	2.4878	3.1993	3.3707	4.0535	3.5880
O3	2.6605	1.9730		0.9969	1.4776	2.0464	2.1499	2.4403	2.7824	3.7996	4.0121	4.2277	4.5719
H4	3.0871	2.4483	0.9969		2.0124	2.8620	2.3431	2.7149	2.6446	4.1634	4.5966	4.4773	4.8489
C5	2.4054	2.2844	1.4776	2.0124		1.0917	1.0965	1.5362	2.1564	2.5461	2.7669	2.8345	3.4847
H6	2.6954	2.6095	2.0464	2.8620	1.0917		1.7908	2.1582	3.0570	2.7194	2.4888	3.0855	3.7166
H7	3.3775	3.3139	2.1499	2.3431	1.0965	1.7908		2.1999	2.4644	2.9143	3.2676	2.7760	3.9010
C8	1.4546	1.9420	2.4403	2.7149	1.5362	2.1582	2.1999		1.1055	1.5260	2.1506	2.1762	2.1540
H9	2.1234	2.4878	2.7824	2.6446	2.1564	3.0570	2.4644	1.1055		2.1644	3.0660	2.4997	2.5075
C10	2.4118	3.1993	3.7996	4.1634	2.5461	2.7194	2.9143	1.5260	2.1644		1.0944	1.0954	1.0936
H11	2.6448	3.3707	4.0121	4.5966	2.7669	2.4888	3.2676	2.1506	3.0660	1.0944		1.7899	1.7727
H12	3.3772	4.0535	4.2277	4.4773	2.8345	3.0855	2.7760	2.1762	2.4997	1.0954	1.7899		1.7824
H13	2.6404	3.5880	4.5719	4.8489	3.4847	3.7166	3.9010	2.1540	2.5075	1.0936	1.7727	1.7824

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C8	C5	107.047	O1	C8	H9	111.344
O1	C8	C10	108.002	H2	O1	C8	102.798
O3	C5	H6	104.592	O3	C5	H7	112.434
O3	C5	C8	108.116	H4	O3	C5	107.232
C5	C8	H9	108.327	C5	C8	C10	112.493
H6	C5	H7	109.848	H6	C5	C8	109.254
H7	C5	C8	112.277	C8	C10	H11	109.206
C8	C10	H12	111.168	C8	C10	H13	109.516
H9	C8	C10	109.633	H11	C10	H12	109.647
H11	C10	H13	108.228	H12	C10	H13	109.024

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

using model chemistry: B3LYP/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	-0.566
2	H	0.336
3	O	-0.536
4	H	0.341
5	C	-0.176
6	H	0.224
7	H	0.179
8	C	0.003
9	H	0.158
10	C	-0.551
11	H	0.200
12	H	0.176
13	H	0.213

	x	y	z	Total
	0.664	-2.113	1.599	2.731
CHELPG
AIM
ESP

	x	y	z
x	6.131	0.285	0.212
y	0.285	5.402	-0.186
z	0.212	-0.186	5.129

<r²>	132.524
(<r²>)^1/2	11.512

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

using model chemistry: B3LYP/3-21G*

States and conformations

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