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	hartrees
Energy at 0K	-267.037374
Energy at 298.15K	-267.047321
HF Energy	-266.478104
Nuclear repulsion energy	192.426606

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3459	3353	0.09
2	A	3450	3344	19.03
3	A	3117	3021	33.93
4	A	3114	3018	14.43
5	A	3103	3008	13.89
6	A	3037	2944	30.12
7	A	3033	2940	15.39
8	A	2952	2861	59.44
9	A	1580	1531	5.15
10	A	1566	1517	3.20
11	A	1561	1513	2.53
12	A	1491	1445	53.39
13	A	1473	1427	11.87
14	A	1416	1372	20.30
15	A	1412	1368	9.62
16	A	1398	1355	42.53
17	A	1350	1309	29.64
18	A	1250	1211	15.62
19	A	1175	1139	0.83
20	A	1113	1079	16.93
21	A	1057	1025	32.82
22	A	999	969	47.17
23	A	958	928	13.06
24	A	919	891	16.86
25	A	838	812	10.27
26	A	636	617	179.67
27	A	514	498	11.25
28	A	466	452	21.06
29	A	376	364	89.71
30	A	359	348	9.20
31	A	265	257	2.90
32	A	224	217	0.39
33	A	158	154	4.15

Atom	x (Å)	y (Å)	z (Å)
O1	-0.348	1.391	-0.152
H2	0.638	1.532	-0.203
O3	1.945	-0.048	-0.019
H4	2.192	-0.138	0.941
C5	0.680	-0.803	-0.218
H6	0.557	-0.862	-1.305
H7	0.725	-1.816	0.209
C8	-0.476	0.027	0.377
H9	-0.386	0.018	1.480
C10	-1.857	-0.497	-0.042
H11	-1.924	-0.486	-1.139
H12	-2.021	-1.518	0.329
H13	-2.636	0.164	0.359

	O1	H2	O3	H4	C5	H6	H7	C8	H9	C10	H11	H12	H13
O1		0.9979	2.7108	3.1599	2.4238	2.6879	3.4008	1.4684	2.1331	2.4191	2.6422	3.3900	2.6457
H2	0.9979		2.0589	2.5520	2.3355	2.6366	3.3743	1.9605	2.4849	3.2202	3.3934	4.0816	3.5928
O3	2.7108	2.0589		0.9955	1.4869	2.0599	2.1600	2.4544	2.7718	3.8291	4.0518	4.2443	4.6018
H4	3.1599	2.5520	0.9955		2.0182	2.8711	2.3459	2.7319	2.6376	4.1825	4.6247	4.4752	4.8723
C5	2.4238	2.3355	1.4869	2.0182		1.0955	1.1001	1.5424	2.1662	2.5619	2.7799	2.8473	3.5021
H6	2.6879	2.6366	2.0599	2.8711	1.0955		1.7975	2.1650	3.0692	2.7496	2.5153	3.1229	3.7445
H7	3.4008	3.3743	2.1600	2.3459	1.1001	1.7975		2.2060	2.4921	2.9109	3.2558	2.7649	3.9040
C8	1.4684	1.9605	2.4544	2.7319	1.5424	2.1650	2.2060		1.1069	1.5356	2.1579	2.1855	2.1645
H9	2.1331	2.4849	2.7718	2.6376	2.1662	3.0692	2.4921	1.1069		2.1790	3.0785	2.5212	2.5185
C10	2.4191	3.2202	3.8291	4.1825	2.5619	2.7496	2.9109	1.5356	2.1790		1.0983	1.0994	1.0973
H11	2.6422	3.3934	4.0518	4.6247	2.7799	2.5153	3.2558	2.1579	3.0785	1.0983		1.7969	1.7814
H12	3.3900	4.0816	4.2443	4.4752	2.8473	3.1229	2.7649	2.1855	2.5212	1.0994	1.7969		1.7915
H13	2.6457	3.5928	4.6018	4.8723	3.5021	3.7445	3.9040	2.1645	2.5185	1.0973	1.7814	1.7915

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C8	C5	107.202	O1	C8	H9	111.070
O1	C8	C10	107.255	H2	O1	C8	103.645
O3	C5	H6	104.803	O3	C5	H7	112.358
O3	C5	C8	108.227	H4	O3	C5	107.121
C5	C8	H9	108.587	C5	C8	C10	112.676
H6	C5	H7	109.908	H6	C5	C8	109.141
H7	C5	C8	112.109	C8	C10	H11	108.894
C8	C10	H12	110.996	C8	C10	H13	109.469
H9	C8	C10	110.035	H11	C10	H12	109.700
H11	C10	H13	108.457	H12	C10	H13	109.281

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

using model chemistry: QCISD/3-21G

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: QCISD/3-21G

States and conformations

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