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	hartrees
Energy at 0K	-233.050860
Energy at 298.15K
HF Energy	-232.235039
Nuclear repulsion energy	189.209061

Atom	x (Å)	y (Å)	z (Å)
C1	-2.307	0.663	0.000
O2	-1.271	-0.290	0.000
C3	0.000	0.321	0.000
C4	1.067	-0.755	0.000
C5	2.471	-0.156	0.000
H6	-3.251	0.122	0.000
H7	-2.261	1.302	0.889
H8	-2.261	1.302	-0.889
H9	0.108	0.964	0.885
H10	0.108	0.964	-0.885
H11	0.924	-1.387	-0.877
H12	0.924	-1.387	0.877
H13	2.633	0.467	0.882
H14	2.633	0.467	-0.882
H15	3.230	-0.937	0.000

	C1	O2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.4072	2.3324	3.6599	4.8474	1.0873	1.0957	1.0957	2.5897	2.5897	3.9257	3.9257	5.0220	5.0220	5.7640
O2	1.4072		1.4104	2.3842	3.7443	2.0217	2.0739	2.0739	2.0630	2.0630	2.6063	2.6063	4.0734	4.0734	4.5480
C3	2.3324	1.4104		1.5152	2.5162	3.2567	2.6196	2.6196	1.0988	1.0988	2.1312	2.1312	2.7805	2.7805	3.4667
C4	3.6599	2.3842	1.5152		1.5259	4.4058	4.0115	4.0115	2.1576	2.1576	1.0913	1.0913	2.1728	2.1728	2.1710
C5	4.8474	3.7443	2.5162	1.5259		5.7280	5.0298	5.0298	2.7600	2.7600	2.1634	2.1634	1.0916	1.0916	1.0896
H6	1.0873	2.0217	3.2567	4.4058	5.7280		1.7781	1.7781	3.5737	3.5737	4.5247	4.5247	5.9592	5.9592	6.5670
H7	1.0957	2.0739	2.6196	4.0115	5.0298	1.7781		1.7778	2.3926	2.9783	4.5267	4.1678	4.9642	5.2706	5.9960
H8	1.0957	2.0739	2.6196	4.0115	5.0298	1.7781	1.7778		2.9783	2.3926	4.1678	4.5267	5.2706	4.9642	5.9960
H9	2.5897	2.0630	1.0988	2.1576	2.7600	3.5737	2.3926	2.9783		1.7694	3.0493	2.4886	2.5733	3.1213	3.7608
H10	2.5897	2.0630	1.0988	2.1576	2.7600	3.5737	2.9783	2.3926	1.7694		2.4886	3.0493	3.1213	2.5733	3.7608
H11	3.9257	2.6063	2.1312	1.0913	2.1634	4.5247	4.5267	4.1678	3.0493	2.4886		1.7549	3.0749	2.5219	2.5089
H12	3.9257	2.6063	2.1312	1.0913	2.1634	4.5247	4.1678	4.5267	2.4886	3.0493	1.7549		2.5219	3.0749	2.5089
H13	5.0220	4.0734	2.7805	2.1728	1.0916	5.9592	4.9642	5.2706	2.5733	3.1213	3.0749	2.5219		1.7637	1.7619
H14	5.0220	4.0734	2.7805	2.1728	1.0916	5.9592	5.2706	4.9642	3.1213	2.5733	2.5219	3.0749	1.7637		1.7619
H15	5.7640	4.5480	3.4667	2.1710	1.0896	6.5670	5.9960	5.9960	3.7608	3.7608	2.5089	2.5089	1.7619	1.7619

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	111.748	O2	C1	H6	107.596
O2	C1	H7	111.306	O2	C1	H8	111.306
O2	C3	C4	109.109	O2	C3	H9	109.992
O2	C3	H10	109.992	C3	C4	C5	111.661
C3	C4	H11	108.607	C3	C4	H12	108.607
C4	C3	H9	110.241	C4	C3	H10	110.241
C4	C5	H13	111.137	C4	C5	H14	111.137
C4	C5	H15	111.106	C5	C4	H11	110.397
C5	C4	H12	110.397	H6	C1	H7	109.076
H6	C1	H8	109.076	H7	C1	H8	108.437
H9	C3	H10	107.251	H11	C4	H12	107.032
H13	C5	H14	107.777	H13	C5	H15	107.761
H14	C5	H15	107.761

All results from a given calculation for C₄H₁₀O (Methyl propyl ether)

using model chemistry: QCISD/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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All results from a given calculation for C4H10O (Methyl propyl ether)

using model chemistry: QCISD/Def2TZVPP

States and conformations

All results from a given calculation for C₄H₁₀O (Methyl propyl ether)