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	hartrees
Energy at 0K	-232.898872
Energy at 298.15K
HF Energy	-232.227256
Nuclear repulsion energy	189.591468

Atom	x (Å)	y (Å)	z (Å)
C1	-2.298	0.669	0.000
O2	-1.270	-0.291	0.000
C3	0.000	0.320	0.000
C4	1.063	-0.753	0.000
C5	2.464	-0.161	0.000
H6	-3.245	0.138	0.000
H7	-2.248	1.307	0.887
H8	-2.248	1.307	-0.887
H9	0.111	0.960	0.883
H10	0.111	0.960	-0.883
H11	0.917	-1.384	-0.875
H12	0.917	-1.384	0.875
H13	2.626	0.461	0.880
H14	2.626	0.461	-0.880
H15	3.220	-0.942	0.000

	C1	O2	C3	C4	C5	H6	H7	H8	H9	H10	H11	H12	H13	H14	H15
C1		1.4071	2.3248	3.6498	4.8343	1.0857	1.0942	1.0942	2.5829	2.5829	3.9144	3.9144	5.0070	5.0070	5.7492
O2	1.4071		1.4094	2.3780	3.7363	2.0216	2.0735	2.0735	2.0626	2.0626	2.5970	2.5970	4.0644	4.0644	4.5372
C3	2.3248	1.4094		1.5107	2.5106	3.2505	2.6107	2.6107	1.0967	1.0967	2.1243	2.1243	2.7733	2.7733	3.4589
C4	3.6498	2.3780	1.5107		1.5215	4.3995	3.9995	3.9995	2.1503	2.1503	1.0889	1.0889	2.1663	2.1663	2.1658
C5	4.8343	3.7363	2.5106	1.5215		5.7174	5.0147	5.0147	2.7522	2.7522	2.1579	2.1579	1.0895	1.0895	1.0874
H6	1.0857	2.0216	3.2505	4.3995	5.7174		1.7746	1.7746	3.5669	3.5669	4.5178	4.5178	5.9460	5.9460	6.5554
H7	1.0942	2.0735	2.6107	3.9995	5.0147	1.7746		1.7745	2.3845	2.9700	4.5133	4.1549	4.9473	5.2535	5.9792
H8	1.0942	2.0735	2.6107	3.9995	5.0147	1.7746	1.7745		2.9700	2.3845	4.1549	4.5133	5.2535	4.9473	5.9792
H9	2.5829	2.0626	1.0967	2.1503	2.7522	3.5669	2.3845	2.9700		1.7668	3.0400	2.4795	2.5643	3.1122	3.7508
H10	2.5829	2.0626	1.0967	2.1503	2.7522	3.5669	2.9700	2.3845	1.7668		2.4795	3.0400	3.1122	2.5643	3.7508
H11	3.9144	2.5970	2.1243	1.0889	2.1579	4.5178	4.5133	4.1549	3.0400	2.4795		1.7509	3.0671	2.5148	2.5034
H12	3.9144	2.5970	2.1243	1.0889	2.1579	4.5178	4.1549	4.5133	2.4795	3.0400	1.7509		2.5148	3.0671	2.5034
H13	5.0070	4.0644	2.7733	2.1663	1.0895	5.9460	4.9473	5.2535	2.5643	3.1122	3.0671	2.5148		1.7605	1.7594
H14	5.0070	4.0644	2.7733	2.1663	1.0895	5.9460	5.2535	4.9473	3.1122	2.5643	2.5148	3.0671	1.7605		1.7594
H15	5.7492	4.5372	3.4589	2.1658	1.0874	6.5554	5.9792	5.9792	3.7508	3.7508	2.5034	2.5034	1.7594	1.7594

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	111.262	O2	C1	H6	107.689
O2	C1	H7	111.373	O2	C1	H8	111.373
O2	C3	C4	109.003	O2	C3	H9	110.154
O2	C3	H10	110.154	C3	C4	C5	111.785
C3	C4	H11	108.518	C3	C4	H12	108.518
C4	C3	H9	110.104	C4	C3	H10	110.104
C4	C5	H13	111.046	C4	C5	H14	111.046
C4	C5	H15	111.137	C5	C4	H11	110.420
C5	C4	H12	110.420	H6	C1	H7	108.995
H6	C1	H8	108.995	H7	C1	H8	108.366
H9	C3	H10	107.311	H11	C4	H12	107.032
H13	C5	H14	107.779	H13	C5	H15	107.840
H14	C5	H15	107.840

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

using model chemistry: CCSD(T)=FULL/cc-pVTZ

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: CCSD(T)=FULL/cc-pVTZ

States and conformations

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