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	hartrees
Energy at 0K	-268.716309
Energy at 298.15K	-268.726277
HF Energy	-267.962062
Nuclear repulsion energy	195.138006

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3758	3544	27.36
2	A	3709	3498	54.44
3	A	3215	3032	14.00
4	A	3204	3021	24.12
5	A	3186	3004	18.07
6	A	3112	2935	14.36
7	A	3091	2915	36.17
8	A	3008	2837	69.13
9	A	1565	1475	3.20
10	A	1557	1468	2.55
11	A	1549	1461	4.00
12	A	1500	1415	28.18
13	A	1462	1378	25.54
14	A	1433	1351	18.29
15	A	1425	1344	16.99
16	A	1388	1309	40.99
17	A	1335	1259	50.68
18	A	1263	1191	16.30
19	A	1214	1145	13.15
20	A	1126	1062	38.34
21	A	1119	1055	10.01
22	A	1076	1015	108.89
23	A	977	921	2.96
24	A	951	897	19.29
25	A	880	830	13.28
26	A	569	536	167.68
27	A	532	501	26.45
28	A	496	468	5.90
29	A	372	351	25.95
30	A	349	329	70.63
31	A	260	245	3.19
32	A	241	227	0.42
33	A	165	155	3.81

Atom	x (Å)	y (Å)	z (Å)
O1	-0.419	1.372	-0.155
H2	0.530	1.600	-0.185
O3	1.935	-0.049	0.008
H4	2.135	-0.152	0.954
C5	0.704	-0.738	-0.243
H6	0.603	-0.772	-1.331
H7	0.729	-1.767	0.142
C8	-0.460	0.043	0.346
H9	-0.350	0.045	1.447
C10	-1.803	-0.549	-0.020
H11	-1.911	-0.580	-1.108
H12	-1.906	-1.563	0.380
H13	-2.604	0.071	0.387

	O1	H2	O3	H4	C5	H6	H7	C8	H9	C10	H11	H12	H13
O1		0.9765	2.7549	3.1743	2.3922	2.6500	3.3557	1.4211	2.0816	2.3722	2.6351	3.3336	2.6002
H2	0.9765		2.1753	2.6351	2.3455	2.6349	3.3888	1.9200	2.4200	3.1768	3.4002	4.0322	3.5338
O3	2.7549	2.1753		0.9730	1.4331	2.0217	2.1032	2.4206	2.7021	3.7716	4.0393	4.1455	4.5566
H4	3.1743	2.6351	0.9730		1.9556	2.8198	2.2901	2.6720	2.5405	4.0761	4.5608	4.3185	4.7778
C5	2.3922	2.3455	1.4331	1.9556		1.0929	1.0986	1.5204	2.1396	2.5237	2.7583	2.8069	3.4631
H6	2.6500	2.6349	2.0217	2.8198	1.0929		1.7817	2.1460	3.0477	2.7486	2.5307	3.1378	3.7343
H7	3.3557	3.3888	2.1032	2.2901	1.0986	1.7817		2.1753	2.4799	2.8142	3.1525	2.6537	3.8142
C8	1.4211	1.9200	2.4206	2.6720	1.5204	2.1460	2.1753		1.1060	1.5133	2.1465	2.1616	2.1448
H9	2.0816	2.4200	2.7021	2.5405	2.1396	3.0477	2.4799	1.1060		2.1489	3.0582	2.4791	2.4911
C10	2.3722	3.1768	3.7716	4.0761	2.5237	2.7486	2.8142	1.5133	2.1489		1.0932	1.0942	1.0921
H11	2.6351	3.4002	4.0393	4.5608	2.7583	2.5307	3.1525	2.1465	3.0582	1.0932		1.7828	1.7717
H12	3.3336	4.0322	4.1455	4.3185	2.8069	3.1378	2.6537	2.1616	2.4791	1.0942	1.7828		1.7768
H13	2.6002	3.5338	4.5566	4.7778	3.4631	3.7343	3.8142	2.1448	2.4911	1.0921	1.7717	1.7768

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C8	C5	108.784	O1	C8	H9	110.292
O1	C8	C10	107.842	H2	O1	C8	104.894
O3	C5	H6	105.540	O3	C5	H7	111.673
O3	C5	C8	110.047	H4	O3	C5	107.188
C5	C8	H9	108.070	C5	C8	C10	112.588
H6	C5	H7	108.776	H6	C5	C8	109.314
H7	C5	C8	111.300	C8	C10	H11	109.831
C8	C10	H12	110.967	C8	C10	H13	109.754
H9	C8	C10	109.266	H11	C10	H12	109.183
H11	C10	H13	108.334	H12	C10	H13	108.720

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

using model chemistry: MP2/6-31G*

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: MP2/6-31G*

States and conformations

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