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	hartrees
Energy at 0K	-268.092911
Energy at 298.15K	-268.102899
HF Energy	-268.092911
Nuclear repulsion energy	196.210705

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4172	3782	56.28
2	A	4154	3765	72.05
3	A	3242	2939	39.76
4	A	3236	2933	68.63
5	A	3224	2922	10.82
6	A	3170	2873	57.82
7	A	3161	2865	16.57
8	A	3091	2802	73.20
9	A	1625	1473	3.01
10	A	1618	1466	1.58
11	A	1605	1455	5.61
12	A	1575	1428	11.88
13	A	1544	1399	29.39
14	A	1514	1373	4.57
15	A	1502	1361	29.88
16	A	1470	1332	36.88
17	A	1390	1260	76.76
18	A	1327	1203	21.66
19	A	1279	1159	24.67
20	A	1187	1076	81.86
21	A	1172	1062	4.67
22	A	1139	1032	104.82
23	A	1017	922	5.64
24	A	1001	907	18.75
25	A	911	826	12.57
26	A	562	509	20.05
27	A	517	469	25.11
28	A	455	413	141.20
29	A	388	352	19.33
30	A	299	271	81.54
31	A	268	243	4.88
32	A	239	217	0.69
33	A	155	140	3.72

Atom	x (Å)	y (Å)	z (Å)
O1	-0.469	1.371	-0.154
H2	0.416	1.690	-0.189
O3	1.944	-0.047	0.015
H4	2.166	-0.133	0.924
C5	0.725	-0.711	-0.246
H6	0.637	-0.765	-1.322
H7	0.763	-1.720	0.148
C8	-0.456	0.052	0.332
H9	-0.348	0.081	1.417
C10	-1.783	-0.592	-0.013
H11	-1.909	-0.645	-1.087
H12	-1.850	-1.593	0.397
H13	-2.595	-0.003	0.391

	O1	H2	O3	H4	C5	H6	H7	C8	H9	C10	H11	H12	H13
O1		0.9411	2.8032	3.2196	2.4015	2.6735	3.3409	1.4053	2.0364	2.3663	2.6477	3.3159	2.5902
H2	0.9411		2.3220	2.7614	2.4215	2.7123	3.4442	1.9271	2.3986	3.1737	3.4154	4.0317	3.5033
O3	2.8032	2.3220		0.9394	1.4126	2.0022	2.0524	2.4225	2.6897	3.7664	4.0516	4.1142	4.5549
H4	3.2196	2.7614	0.9394		1.9441	2.7888	2.2561	2.6943	2.5712	4.0845	4.5730	4.3054	4.7931
C5	2.4015	2.4215	1.4126	1.9441		1.0807	1.0837	1.5200	2.1315	2.5213	2.7655	2.7962	3.4539
H6	2.6735	2.7123	2.0022	2.7888	1.0807		1.7572	2.1440	3.0309	2.7568	2.5597	3.1344	3.7366
H7	3.3409	3.4442	2.0524	2.2561	1.0837	1.7572		2.1588	2.4675	2.7891	3.1334	2.6274	3.7792
C8	1.4053	1.9271	2.4225	2.6943	1.5200	2.1440	2.1588		1.0908	1.5149	2.1476	2.1573	2.1411
H9	2.0364	2.3986	2.6897	2.5712	2.1315	3.0309	2.4675	1.0908		2.1346	3.0389	2.4693	2.4720
C10	2.3663	3.1737	3.7664	4.0845	2.5213	2.7568	2.7891	1.5149	2.1346		1.0829	1.0839	1.0813
H11	2.6477	3.4154	4.0516	4.5730	2.7655	2.5597	3.1334	2.1476	3.0389	1.0829		1.7619	1.7516
H12	3.3159	4.0317	4.1142	4.3054	2.7962	3.1344	2.6274	2.1573	2.4693	1.0839	1.7619		1.7556
H13	2.5902	3.5033	4.5549	4.7931	3.4539	3.7366	3.7792	2.1411	2.4720	1.0813	1.7516	1.7556

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C8	C5	110.298	O1	C8	H9	108.682
O1	C8	C10	108.189	H2	O1	C8	108.811
O3	C5	H6	106.076	O3	C5	H7	109.911
O3	C5	C8	111.340	H4	O3	C5	109.857
C5	C8	H9	108.334	C5	C8	C10	112.351
H6	C5	H7	108.556	H6	C5	C8	109.906
H7	C5	C8	110.903	C8	C10	H11	110.414
C8	C10	H12	111.134	C8	C10	H13	109.993
H9	C8	C10	108.918	H11	C10	H12	108.804
H11	C10	H13	108.063	H12	C10	H13	108.350

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

using model chemistry: HF/Def2TZVPP

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	-0.438
2	H	0.212
3	O	-0.443
4	H	0.207
5	C	0.138
6	H	0.050
7	H	0.033
8	C	0.269
9	H	-0.010
10	C	-0.192
11	H	0.057
12	H	0.042
13	H	0.074

	x	y	z	Total
	0.492	-1.735	1.615	2.421
CHELPG
AIM
ESP

	x	y	z
x	6.914	0.223	0.136
y	0.223	6.258	-0.035
z	0.136	-0.035	5.950

<r²>	132.033
(<r²>)^1/2	11.491

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

using model chemistry: HF/Def2TZVPP

States and conformations

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