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	hartrees
Energy at 0K	-266.036254
Energy at 298.15K	-266.046066
Nuclear repulsion energy	191.889116

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3709	3310	21.59
2	A	3484	3109	1.42
3	A	3477	3103	2.10
4	A	3424	3056	1.80
5	A	3407	3041	108.70
6	A	3308	2952	1.41
7	A	3299	2944	5.89
8	A	3208	2863	32.20
9	A	1740	1553	95.69
10	A	1684	1503	5.23
11	A	1674	1494	6.07
12	A	1638	1461	0.46
13	A	1561	1393	6.91
14	A	1550	1383	13.60
15	A	1482	1322	12.05
16	A	1437	1283	7.77
17	A	1401	1250	4.87
18	A	1274	1137	10.47
19	A	1223	1091	6.17
20	A	1164	1039	2.99
21	A	1141	1018	1.95
22	A	1110	990	22.76
23	A	995	888	5.54
24	A	972	868	10.63
25	A	882	787	6.77
26	A	857	764	51.06
27	A	589	525	4.77
28	A	474	423	43.27
29	A	463	413	28.95
30	A	420	375	9.03
31	A	311	277	2.14
32	A	199	177	0.07
33	A	112	100	3.84

Atom	x (Å)	y (Å)	z (Å)
O1	-0.189	1.402	-0.100
H2	0.830	1.235	-0.267
O3	1.880	-0.057	-0.163
H4	2.182	0.025	0.815
C5	0.667	-0.900	-0.046
H6	0.475	-1.296	-1.063
H7	0.809	-1.751	0.653
C8	-0.518	0.068	0.401
H9	-0.566	0.059	1.521
C10	-1.903	-0.411	-0.144
H11	-1.894	-0.441	-1.244
H12	-2.143	-1.416	0.238
H13	-2.693	0.284	0.179

	O1	H2	O3	H4	C5	H6	H7	C8	H9	C10	H11	H12	H13
O1		1.0466	2.5331	2.8908	2.4573	2.9404	3.3919	1.4620	2.1380	2.4950	2.7587	3.4451	2.7555
H2	1.0466		1.6681	2.1122	2.1526	2.6762	3.1241	1.9036	2.5544	3.1925	3.3439	4.0144	3.6757
O3	2.5331	1.6681		1.0272	1.4815	2.0778	2.1637	2.4669	2.9717	3.7996	3.9442	4.2645	4.5981
H4	2.8908	2.1122	1.0272		1.9726	2.8610	2.2508	2.7321	2.8370	4.2186	4.5900	4.5945	4.9226
C5	2.4573	2.1526	1.4815	1.9726		1.1081	1.1096	1.5949	2.2124	2.6185	2.8647	2.8708	3.5699
H6	2.9404	2.6762	2.0778	2.8610	1.1081		1.8061	2.2335	3.0972	2.6983	2.5245	2.9251	3.7512
H7	3.3919	3.1241	2.1637	2.2508	1.1096	1.8061		2.2661	2.4331	3.1281	3.5522	2.9991	4.0776
C8	1.4620	1.9036	2.4669	2.7321	1.5949	2.2335	2.2661		1.1209	1.5633	2.2038	2.2062	2.1962
H9	2.1380	2.5544	2.9717	2.8370	2.2124	3.0972	2.4331	1.1209		2.1864	3.1076	2.5113	2.5245
C10	2.4950	3.1925	3.7996	4.2186	2.6185	2.6983	3.1281	1.5633	2.1864		1.1005	1.1014	1.1006
H11	2.7587	3.3439	3.9442	4.5900	2.8647	2.5245	3.5522	2.2038	3.1076	1.1005		1.7912	1.7862
H12	3.4451	4.0144	4.2645	4.5945	2.8708	2.9251	2.9991	2.2062	2.5113	1.1014	1.7912		1.7879
H13	2.7555	3.6757	4.5981	4.9226	3.5699	3.7512	4.0776	2.1962	2.5245	1.1006	1.7862	1.7879

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C8	C5	106.920	O1	C8	H9	111.048
O1	C8	C10	111.069	H2	O1	C8	97.341
O3	C5	H6	105.807	O3	C5	H7	112.446
O3	C5	C8	106.563	H4	O3	C5	102.159
C5	C8	H9	107.831	C5	C8	C10	112.008
H6	C5	H7	109.051	H6	C5	C8	110.142
H7	C5	C8	112.598	C8	C10	H11	110.442
C8	C10	H12	110.571	C8	C10	H13	109.840
H9	C8	C10	107.947	H11	C10	H12	108.880
H11	C10	H13	108.484	H12	C10	H13	108.570

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

using model chemistry: B3LYP/STO-3G

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	-0.282
2	H	0.167
3	O	-0.230
4	H	0.188
5	C	-0.067
6	H	0.085
7	H	0.073
8	C	0.019
9	H	0.047
10	C	-0.224
11	H	0.075
12	H	0.070
13	H	0.080

	x	y	z	Total
	0.986	-1.905	1.272	2.494
CHELPG
AIM
ESP

	x	y	z
x	3.978	0.260	0.137
y	0.260	3.187	-0.099
z	0.137	-0.099	2.947

<r²>	132.618
(<r²>)^1/2	11.516

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

using model chemistry: B3LYP/STO-3G

States and conformations

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