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	hartrees
Energy at 0K	-268.810011
Energy at 298.15K
HF Energy	-267.995006
Nuclear repulsion energy	194.801654

Atom	x (Å)	y (Å)	z (Å)
O1	-0.464	1.377	-0.156
H2	0.449	1.699	-0.136
O3	1.950	-0.041	0.009
H4	2.212	-0.192	0.926
C5	0.718	-0.719	-0.247
H6	0.615	-0.748	-1.332
H7	0.734	-1.747	0.130
C8	-0.460	0.046	0.342
H9	-0.347	0.053	1.437
C10	-1.789	-0.585	-0.016
H11	-1.904	-0.621	-1.100
H12	-1.858	-1.597	0.384
H13	-2.602	0.011	0.396

	O1	H2	O3	H4	C5	H6	H7	C8	H9	C10	H11	H12	H13
O1		0.9684	2.8046	3.2856	2.4082	2.6577	3.3587	1.4211	2.0755	2.3715	2.6370	3.3286	2.5967
H2	0.9684		2.3026	2.7951	2.4358	2.7291	3.4686	1.9457	2.4123	3.1999	3.4418	4.0566	3.5273
O3	2.8046	2.3026		0.9654	1.4296	2.0198	2.0986	2.4338	2.7062	3.7783	4.0515	4.1303	4.5685
H4	3.2856	2.7951	0.9654		1.9713	2.8206	2.2881	2.7451	2.6210	4.1292	4.6072	4.3394	4.8473
C5	2.4082	2.4358	1.4296	1.9713		1.0903	1.0952	1.5223	2.1364	2.5207	2.7583	2.7929	3.4591
H6	2.6577	2.7291	2.0198	2.8206	1.0903		1.7750	2.1414	3.0387	2.7453	2.5325	3.1271	3.7297
H7	3.3587	3.4686	2.0986	2.2881	1.0952	1.7750		2.1647	2.4730	2.7820	3.1211	2.6085	3.7803
C8	1.4211	1.9457	2.4338	2.7451	1.5223	2.1414	2.1647		1.1015	1.5145	2.1466	2.1579	2.1434
H9	2.0755	2.4123	2.7062	2.6210	2.1364	3.0387	2.4730	1.1015		2.1445	3.0519	2.4724	2.4842
C10	2.3715	3.1999	3.7783	4.1292	2.5207	2.7453	2.7820	1.5145	2.1445		1.0903	1.0907	1.0889
H11	2.6370	3.4418	4.0515	4.6072	2.7583	2.5325	3.1211	2.1466	3.0519	1.0903		1.7771	1.7677
H12	3.3286	4.0566	4.1303	4.3394	2.7929	3.1271	2.6085	2.1579	2.4724	1.0907	1.7771		1.7717
H13	2.5967	3.5273	4.5685	4.8473	3.4591	3.7297	3.7803	2.1434	2.4842	1.0889	1.7677	1.7717

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C8	C5	109.758	O1	C8	H9	110.081
O1	C8	C10	107.732	H2	O1	C8	107.518
O3	C5	H6	105.761	O3	C5	H7	111.760
O3	C5	C8	111.034	H4	O3	C5	109.251
C5	C8	H9	107.949	C5	C8	C10	112.214
H6	C5	H7	108.610	H6	C5	C8	108.976
H7	C5	C8	110.526	C8	C10	H11	109.925
C8	C10	H12	110.800	C8	C10	H13	109.760
H9	C8	C10	109.103	H11	C10	H12	109.135
H11	C10	H13	108.424	H12	C10	H13	108.750

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

using model chemistry: MP2/6-31+G**

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: MP2/6-31+G**

States and conformations

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