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	hartrees
Energy at 0K	-268.736028
Energy at 298.15K	-268.746001
HF Energy	-267.962207
Nuclear repulsion energy	195.319967

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3761	3544	27.61
2	A	3712	3497	54.70
3	A	3216	3031	13.88
4	A	3205	3020	23.77
5	A	3187	3002	18.04
6	A	3113	2933	14.21
7	A	3091	2913	36.17
8	A	3009	2835	69.18
9	A	1565	1475	3.22
10	A	1557	1467	2.63
11	A	1549	1460	4.05
12	A	1501	1414	27.81
13	A	1463	1378	25.69
14	A	1434	1351	16.73
15	A	1426	1343	18.10
16	A	1390	1309	40.49
17	A	1335	1258	51.50
18	A	1264	1191	16.60
19	A	1216	1146	13.42
20	A	1127	1062	38.69
21	A	1120	1056	9.54
22	A	1078	1016	109.56
23	A	979	922	2.95
24	A	953	898	19.41
25	A	881	830	13.19
26	A	569	536	167.02
27	A	533	502	27.34
28	A	497	468	5.86
29	A	373	351	24.28
30	A	347	327	72.77
31	A	260	245	3.19
32	A	242	228	0.43
33	A	165	155	3.84

Atom	x (Å)	y (Å)	z (Å)
O1	-0.417	1.371	-0.157
H2	0.530	1.607	-0.163
O3	1.935	-0.048	0.004
H4	2.142	-0.150	0.949
C5	0.703	-0.741	-0.238
H6	0.601	-0.781	-1.325
H7	0.735	-1.767	0.152
C8	-0.460	0.042	0.346
H9	-0.351	0.051	1.446
C10	-1.805	-0.547	-0.021
H11	-1.911	-0.576	-1.108
H12	-1.914	-1.560	0.377
H13	-2.605	0.075	0.384

	O1	H2	O3	H4	C5	H6	H7	C8	H9	C10	H11	H12	H13
O1		0.9766	2.7521	3.1762	2.3918	2.6514	3.3568	1.4220	2.0778	2.3716	2.6315	3.3344	2.5997
H2	0.9766		2.1771	2.6305	2.3549	2.6563	3.3942	1.9208	2.4051	3.1802	3.4084	4.0368	3.5320
O3	2.7521	2.1771		0.9729	1.4338	2.0206	2.1015	2.4215	2.7048	3.7734	4.0380	4.1521	4.5578
H4	3.1762	2.6305	0.9729		1.9564	2.8184	2.2865	2.6782	2.5500	4.0837	4.5647	4.3318	4.7858
C5	2.3918	2.3549	1.4338	1.9564		1.0926	1.0982	1.5187	2.1382	2.5249	2.7598	2.8104	3.4636
H6	2.6514	2.6563	2.0206	2.8184	1.0926		1.7809	2.1433	3.0453	2.7464	2.5291	3.1349	3.7325
H7	3.3568	3.3942	2.1015	2.2865	1.0982	1.7809		2.1762	2.4810	2.8226	3.1630	2.6660	3.8211
C8	1.4220	1.9208	2.4215	2.6782	1.5187	2.1433	2.1762		1.1054	1.5131	2.1445	2.1633	2.1453
H9	2.0778	2.4051	2.7048	2.5500	2.1382	3.0453	2.4810	1.1054		2.1500	3.0574	2.4859	2.4915
C10	2.3716	3.1802	3.7734	4.0837	2.5249	2.7464	2.8226	1.5131	2.1500		1.0928	1.0939	1.0918
H11	2.6315	3.4084	4.0380	4.5647	2.7598	2.5291	3.1630	2.1445	3.0574	1.0928		1.7820	1.7703
H12	3.3344	4.0368	4.1521	4.3318	2.8104	3.1349	2.6660	2.1633	2.4859	1.0939	1.7820		1.7758
H13	2.5997	3.5320	4.5578	4.7858	3.4636	3.7325	3.8211	2.1453	2.4915	1.0918	1.7703	1.7758

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C8	C5	108.805	O1	C8	H9	109.960
O1	C8	C10	107.764	H2	O1	C8	104.888
O3	C5	H6	105.424	O3	C5	H7	111.504
O3	C5	C8	110.169	H4	O3	C5	107.203
C5	C8	H9	108.116	C5	C8	C10	112.779
H6	C5	H7	108.763	H6	C5	C8	109.244
H7	C5	C8	111.524	C8	C10	H11	109.709
C8	C10	H12	111.143	C8	C10	H13	109.834
H9	C8	C10	109.402	H11	C10	H12	109.157
H11	C10	H13	108.262	H12	C10	H13	108.678

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G*

States and conformations

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