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	hartrees
Energy at 0K	-267.987665
Energy at 298.15K	-267.997742
Nuclear repulsion energy	196.251760

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4179	3772	45.99
2	A	4159	3754	69.58
3	A	3275	2956	36.91
4	A	3265	2947	72.08
5	A	3254	2937	11.13
6	A	3191	2880	50.09
7	A	3181	2871	28.06
8	A	3108	2805	86.64
9	A	1636	1477	2.44
10	A	1630	1471	1.44
11	A	1618	1460	6.52
12	A	1590	1435	13.29
13	A	1554	1403	32.13
14	A	1525	1377	6.09
15	A	1509	1362	36.73
16	A	1479	1335	49.85
17	A	1400	1264	84.67
18	A	1333	1203	23.84
19	A	1290	1164	21.03
20	A	1197	1080	72.60
21	A	1176	1061	9.29
22	A	1149	1037	107.11
23	A	1026	926	5.24
24	A	1005	908	19.36
25	A	919	829	12.10
26	A	567	512	31.94
27	A	522	471	61.72
28	A	490	442	128.40
29	A	390	352	17.66
30	A	330	298	85.78
31	A	272	245	4.66
32	A	244	220	0.52
33	A	162	146	3.39

Atom	x (Å)	y (Å)	z (Å)
O1	-0.457	1.364	-0.159
H2	0.430	1.689	-0.142
O3	1.935	-0.044	0.016
H4	2.187	-0.182	0.914
C5	0.725	-0.712	-0.249
H6	0.630	-0.754	-1.327
H7	0.748	-1.732	0.131
C8	-0.454	0.053	0.335
H9	-0.341	0.071	1.423
C10	-1.788	-0.582	-0.012
H11	-1.916	-0.628	-1.088
H12	-1.860	-1.587	0.393
H13	-2.597	0.011	0.398

	O1	H2	O3	H4	C5	H6	H7	C8	H9	C10	H11	H12	H13
O1		0.9451	2.7807	3.2459	2.3904	2.6514	3.3344	1.4002	2.0464	2.3618	2.6381	3.3137	2.5915
H2	0.9451		2.3004	2.7760	2.4216	2.7224	3.4464	1.9193	2.3798	3.1771	3.4307	4.0330	3.5023
O3	2.7807	2.3004		0.9434	1.4077	2.0026	2.0666	2.4116	2.6782	3.7616	4.0488	4.1143	4.5479
H4	3.2459	2.7760	0.9434		1.9426	2.7886	2.2555	2.7142	2.5918	4.1014	4.5881	4.3162	4.8158
C5	2.3904	2.4216	1.4077	1.9426		1.0833	1.0880	1.5216	2.1316	2.5272	2.7725	2.8034	3.4602
H6	2.6514	2.7224	2.0026	2.7886	1.0833		1.7593	2.1420	3.0309	2.7582	2.5608	3.1395	3.7382
H7	3.3344	3.4464	2.0666	2.2555	1.0880	1.7593		2.1617	2.4710	2.7883	3.1310	2.6256	3.7813
C8	1.4002	1.9193	2.4116	2.7142	1.5216	2.1420	2.1617		1.0941	1.5179	2.1515	2.1618	2.1443
H9	2.0464	2.3798	2.6782	2.5918	2.1316	3.0309	2.4710	1.0941		2.1394	3.0455	2.4731	2.4781
C10	2.3618	3.1771	3.7616	4.1014	2.5272	2.7582	2.7883	1.5179	2.1394		1.0852	1.0860	1.0835
H11	2.6381	3.4307	4.0488	4.5881	2.7725	2.5608	3.1310	2.1515	3.0455	1.0852		1.7656	1.7552
H12	3.3137	4.0330	4.1143	4.3162	2.8034	3.1395	2.6256	2.1618	2.4731	1.0860	1.7656		1.7601
H13	2.5915	3.5023	4.5479	4.8158	3.4602	3.7382	3.7813	2.1443	2.4781	1.0835	1.7552	1.7601

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C8	C5	109.724	O1	C8	H9	109.648
O1	C8	C10	107.997	H2	O1	C8	108.273
O3	C5	H6	106.286	O3	C5	H7	111.153
O3	C5	C8	110.768	H4	O3	C5	109.856
C5	C8	H9	108.051	C5	C8	C10	112.495
H6	C5	H7	108.243	H6	C5	C8	109.485
H7	C5	C8	110.763	C8	C10	H11	110.377
C8	C10	H12	111.150	C8	C10	H13	109.908
H9	C8	C10	108.900	H11	C10	H12	108.817
H11	C10	H13	108.064	H12	C10	H13	108.446

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

using model chemistry: HF/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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Number	Element	Mulliken	CHELPG
1	O	-0.653	-0.693
2	H	0.349	0.409
3	O	-0.659	-0.685
4	H	0.338	0.414
5	C	0.096	0.236
6	H	0.133	0.047
7	H	0.098	-0.026
8	C	0.191	0.437
9	H	0.081	-0.056
10	C	-0.341	-0.345
11	H	0.125	0.085
12	H	0.105	0.051
13	H	0.137	0.125

	x	y	z	Total
	0.549	-1.807	1.663	2.516
CHELPG
AIM
ESP

	x	y	z
x	5.967	0.237	0.178
y	0.237	5.453	-0.094
z	0.178	-0.094	5.293

<r²>	131.628
(<r²>)^1/2	11.473

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

using model chemistry: HF/6-31G**

States and conformations

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