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	hartrees
Energy at 0K	-269.321969
Energy at 298.15K	-269.331751
Nuclear repulsion energy	194.294480

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3703	3670	16.45
2	A	3621	3588	49.25
3	A	3058	3030	18.74
4	A	3049	3021	31.91
5	A	3022	2995	23.67
6	A	2974	2947	19.42
7	A	2935	2909	52.28
8	A	2828	2803	85.00
9	A	1453	1440	1.90
10	A	1440	1427	6.01
11	A	1433	1420	7.01
12	A	1401	1388	40.18
13	A	1366	1354	49.85
14	A	1350	1337	1.86
15	A	1330	1318	2.06
16	A	1308	1296	40.96
17	A	1261	1250	28.71
18	A	1187	1176	14.36
19	A	1134	1124	22.29
20	A	1063	1053	16.56
21	A	1054	1044	20.69
22	A	1010	1001	109.87
23	A	910	902	6.07
24	A	892	884	15.66
25	A	826	819	13.88
26	A	567	562	139.12
27	A	513	509	8.75
28	A	472	468	9.43
29	A	361	358	68.94
30	A	349	346	10.52
31	A	246	243	3.16
32	A	215	213	0.29
33	A	156	155	4.34

Atom	x (Å)	y (Å)	z (Å)
O1	-0.403	1.382	-0.156
H2	0.553	1.583	-0.179
O3	1.944	-0.054	-0.005
H4	2.131	-0.104	0.948
C5	0.707	-0.755	-0.224
H6	0.604	-0.829	-1.318
H7	0.736	-1.777	0.199
C8	-0.467	0.047	0.344
H9	-0.367	0.053	1.455
C10	-1.821	-0.541	-0.027
H11	-1.931	-0.575	-1.122
H12	-1.938	-1.559	0.376
H13	-2.627	0.087	0.377

	O1	H2	O3	H4	C5	H6	H7	C8	H9	C10	H11	H12	H13
O1		0.9772	2.7560	3.1385	2.4089	2.6928	3.3767	1.4268	2.0890	2.3919	2.6636	3.3594	2.6279
H2	0.9772		2.1561	2.5711	2.3440	2.6681	3.3867	1.9169	2.4205	3.1885	3.4228	4.0479	3.5579
O3	2.7560	2.1561		0.9722	1.4390	2.0301	2.1142	2.4387	2.7357	3.7961	4.0669	4.1812	4.5895
H4	3.1385	2.5711	0.9722		1.9563	2.8273	2.3035	2.6722	2.5539	4.0937	4.5838	4.3594	4.7965
C5	2.4089	2.3440	1.4390	1.9563		1.1013	1.1067	1.5311	2.1508	2.5440	2.7926	2.8289	3.4909
H6	2.6928	2.6681	2.0301	2.8273	1.1013		1.7944	2.1626	3.0679	2.7618	2.5556	3.1411	3.7620
H7	3.3767	3.3867	2.1142	2.3035	1.1067	1.7944		2.1898	2.4783	2.8487	3.2105	2.6889	3.8494
C8	1.4268	1.9169	2.4387	2.6722	1.5311	2.1626	2.1898		1.1160	1.5212	2.1629	2.1778	2.1605
H9	2.0890	2.4205	2.7357	2.5539	2.1508	3.0679	2.4783	1.1160		2.1595	3.0796	2.4963	2.5048
C10	2.3919	3.1885	3.7961	4.0937	2.5440	2.7618	2.8487	1.5212	2.1595		1.1009	1.1013	1.0993
H11	2.6636	3.4228	4.0669	4.5838	2.7926	2.5556	3.2105	2.1629	3.0796	1.1009		1.7925	1.7800
H12	3.3594	4.0479	4.1812	4.3594	2.8289	3.1411	2.6889	2.1778	2.4963	1.1013	1.7925		1.7844
H13	2.6279	3.5579	4.5895	4.7965	3.4909	3.7620	3.8494	2.1605	2.5048	1.0993	1.7800	1.7844

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C8	C5	109.001	O1	C8	H9	109.870
O1	C8	C10	108.415	H2	O1	C8	104.199
O3	C5	H6	105.331	O3	C5	H7	111.637
O3	C5	C8	110.349	H4	O3	C5	106.851
C5	C8	H9	107.650	C5	C8	C10	112.911
H6	C5	H7	108.717	H6	C5	C8	109.390
H7	C5	C8	111.217	C8	C10	H11	110.120
C8	C10	H12	111.281	C8	C10	H13	110.029
H9	C8	C10	108.973	H11	C10	H12	108.971
H11	C10	H13	108.000	H12	C10	H13	108.359

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

using model chemistry: PBEPBE/6-311G**

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	-0.358
2	H	0.224
3	O	-0.368
4	H	0.235
5	C	-0.068
6	H	0.127
7	H	0.110
8	C	-0.048
9	H	0.095
10	C	-0.317
11	H	0.123
12	H	0.111
13	H	0.135

	x	y	z	Total
	0.518	-1.605	1.488	2.250
CHELPG
AIM
ESP

	x	y	z
x	7.479	0.208	0.155
y	0.208	6.634	-0.053
z	0.155	-0.053	6.294

<r²>	133.212
(<r²>)^1/2	11.542

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

using model chemistry: PBEPBE/6-311G**

States and conformations

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