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	hartrees
Energy at 0K	-307.983211
Energy at 298.15K
HF Energy	-307.026379
Nuclear repulsion energy	244.863716

Atom	x (Å)	y (Å)	z (Å)
O1	1.503	2.648	0.000
O2	-1.503	-2.648	0.000
C3	1.503	1.222	0.000
C4	-1.503	-1.222	0.000
C5	0.059	0.760	0.000
C6	-0.059	-0.760	0.000
H7	2.412	2.970	0.000
H8	-2.412	-2.970	0.000
H9	-0.435	1.180	0.880
H10	-0.435	1.180	-0.880
H11	0.435	-1.180	0.880
H12	0.435	-1.180	-0.880
H13	-2.013	-0.825	-0.886
H14	-2.013	-0.825	0.886
H15	2.013	0.825	-0.886
H16	2.013	0.825	0.886

	O1	O2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
O1		6.0890	1.4263	4.8993	2.3764	3.7488	0.9645	6.8472	2.5849	2.5849	4.0705	4.0705	5.0206	5.0206	2.0898	2.0898
O2	6.0890		4.8993	1.4263	3.7488	2.3764	6.8472	0.9645	4.0705	4.0705	2.5849	2.5849	2.0898	2.0898	5.0206	5.0206
C3	1.4263	4.8993		3.8729	1.5154	2.5231	1.9709	5.7352	2.1282	2.1282	2.7718	2.7718	4.1633	4.1633	1.0966	1.0966
C4	4.8993	1.4263	3.8729		2.5231	1.5154	5.7352	1.9709	2.7718	2.7718	2.1282	2.1282	1.0966	1.0966	4.1633	4.1633
C5	2.3764	3.7488	1.5154	2.5231		1.5249	3.2279	4.4745	1.0930	1.0930	2.1635	2.1635	2.7554	2.7554	2.1463	2.1463
C6	3.7488	2.3764	2.5231	1.5154	1.5249		4.4745	3.2279	2.1635	2.1635	1.0930	1.0930	2.1463	2.1463	2.7554	2.7554
H7	0.9645	6.8472	1.9709	5.7352	3.2279	4.4745		7.6521	3.4757	3.4757	4.6807	4.6807	5.8965	5.8965	2.3548	2.3548
H8	6.8472	0.9645	5.7352	1.9709	4.4745	3.2279	7.6521		4.6807	4.6807	3.4757	3.4757	2.3548	2.3548	5.8965	5.8965
H9	2.5849	4.0705	2.1282	2.7718	1.0930	2.1635	3.4757	4.6807		1.7599	2.5156	3.0701	3.1035	2.5520	3.0391	2.4733
H10	2.5849	4.0705	2.1282	2.7718	1.0930	2.1635	3.4757	4.6807	1.7599		3.0701	2.5156	2.5520	3.1035	2.4733	3.0391
H11	4.0705	2.5849	2.7718	2.1282	2.1635	1.0930	4.6807	3.4757	2.5156	3.0701		1.7599	3.0391	2.4733	3.1035	2.5520
H12	4.0705	2.5849	2.7718	2.1282	2.1635	1.0930	4.6807	3.4757	3.0701	2.5156	1.7599		2.4733	3.0391	2.5520	3.1035
H13	5.0206	2.0898	4.1633	1.0966	2.7554	2.1463	5.8965	2.3548	3.1035	2.5520	3.0391	2.4733		1.7723	4.3510	4.6981
H14	5.0206	2.0898	4.1633	1.0966	2.7554	2.1463	5.8965	2.3548	2.5520	3.1035	2.4733	3.0391	1.7723		4.6981	4.3510
H15	2.0898	5.0206	1.0966	4.1633	2.1463	2.7554	2.3548	5.8965	3.0391	2.4733	3.1035	2.5520	4.3510	4.6981		1.7723
H16	2.0898	5.0206	1.0966	4.1633	2.1463	2.7554	2.3548	5.8965	2.4733	3.0391	2.5520	3.1035	4.6981	4.3510	1.7723

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C3	C5	107.728	O1	C3	H15	111.179
O1	C3	H16	111.179	O2	C4	C6	107.728
O2	C4	H13	111.179	O2	C4	H14	111.179
C3	O1	H7	109.531	C3	C5	C6	112.172
C3	C5	H9	108.264	C3	C5	H10	108.264
C4	O2	H8	109.531	C4	C6	C5	112.172
C4	C6	H11	108.264	C4	C6	H12	108.264
C5	C3	H15	109.466	C5	C3	H16	109.466
C5	C6	H11	110.375	C5	C6	H12	110.375
C6	C4	H13	109.466	C6	C4	H14	109.466
C6	C5	H9	110.375	C6	C5	H10	110.375
H9	C5	H10	107.228	H11	C6	H12	107.228
H13	C4	H14	107.809	H15	C3	H16	107.809

All results from a given calculation for C₄H₁₀O₂ (1,4-Butanediol)

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 C4H10O2 (1,4-Butanediol)

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

States and conformations

All results from a given calculation for C₄H₁₀O₂ (1,4-Butanediol)