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	hartrees
Energy at 0K	-233.442641
Energy at 298.15K
HF Energy	-232.223397
Nuclear repulsion energy	189.127929

Atom	x (Å)	y (Å)	z (Å)
C1	-2.312	0.648	0.000
O2	-1.269	-0.299	0.000
C3	0.000	0.322	0.000
C4	1.072	-0.748	0.000
C5	2.470	-0.139	0.000
H6	-3.252	0.100	0.000
H7	-2.268	1.287	0.890
H8	-2.268	1.287	-0.890
H9	0.102	0.966	0.887
H10	0.102	0.966	-0.887
H11	0.931	-1.382	-0.878
H12	0.931	-1.382	0.878
H13	2.629	0.485	0.882
H14	2.629	0.485	-0.882
H15	3.237	-0.914	0.000

	C1	O2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.4095	2.3352	3.6605	4.8466	1.0881	1.0969	1.0969	2.5915	2.5915	3.9256	3.9256	5.0219	5.0219	5.7649
O2	1.4095		1.4125	2.3830	3.7422	2.0232	2.0757	2.0757	2.0655	2.0655	2.6041	2.6041	4.0725	4.0725	4.5474
C3	2.3352	1.4125		1.5139	2.5126	3.2597	2.6208	2.6208	1.1011	1.1011	2.1309	2.1309	2.7779	2.7779	3.4647
C4	3.6605	2.3830	1.5139		1.5251	4.4061	4.0109	4.0109	2.1595	2.1595	1.0928	1.0928	2.1733	2.1733	2.1716
C5	4.8466	3.7422	2.5126	1.5251		5.7271	5.0274	5.0274	2.7596	2.7596	2.1651	2.1651	1.0923	1.0923	1.0904
H6	1.0881	2.0232	3.2597	4.4061	5.7271		1.7808	1.7808	3.5758	3.5758	4.5237	4.5237	5.9593	5.9593	6.5678
H7	1.0969	2.0757	2.6208	4.0109	5.0274	1.7808		1.7806	2.3916	2.9798	4.5261	4.1662	4.9621	5.2693	5.9952
H8	1.0969	2.0757	2.6208	4.0109	5.0274	1.7808	1.7806		2.9798	2.3916	4.1662	4.5261	5.2693	4.9621	5.9952
H9	2.5915	2.0655	1.1011	2.1595	2.7596	3.5758	2.3916	2.9798		1.7744	3.0524	2.4899	2.5723	3.1223	3.7615
H10	2.5915	2.0655	1.1011	2.1595	2.7596	3.5758	2.9798	2.3916	1.7744		2.4899	3.0524	3.1223	2.5723	3.7615
H11	3.9256	2.6041	2.1309	1.0928	2.1651	4.5237	4.5261	4.1662	3.0524	2.4899		1.7569	3.0776	2.5240	2.5121
H12	3.9256	2.6041	2.1309	1.0928	2.1651	4.5237	4.1662	4.5261	2.4899	3.0524	1.7569		2.5240	3.0776	2.5121
H13	5.0219	4.0725	2.7779	2.1733	1.0923	5.9593	4.9621	5.2693	2.5723	3.1223	3.0776	2.5240		1.7649	1.7621
H14	5.0219	4.0725	2.7779	2.1733	1.0923	5.9593	5.2693	4.9621	3.1223	2.5723	2.5240	3.0776	1.7649		1.7621
H15	5.7649	4.5474	3.4647	2.1716	1.0904	6.5678	5.9952	5.9952	3.7615	3.7615	2.5121	2.5121	1.7621	1.7621

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	111.681	O2	C1	H6	107.504
O2	C1	H7	111.215	O2	C1	H8	111.215
O2	C3	C4	108.988	O2	C3	H9	109.895
O2	C3	H10	109.895	C3	C4	C5	111.534
C3	C4	H11	108.584	C3	C4	H12	108.584
C4	C3	H9	110.345	C4	C3	H10	110.345
C4	C5	H13	111.183	C4	C5	H14	111.183
C4	C5	H15	111.168	C5	C4	H11	110.501
C5	C4	H12	110.501	H6	C1	H7	109.177
H6	C1	H8	109.177	H7	C1	H8	108.515
H9	C3	H10	107.360	H11	C4	H12	106.998
H13	C5	H14	107.785	H13	C5	H15	107.675
H14	C5	H15	107.675

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

using model chemistry: MP4=FULL/6-311+G(3df,2p)

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: MP4=FULL/6-311+G(3df,2p)

States and conformations

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