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	hartrees
Energy at 0K	-228.709509
Energy at 298.15K
HF Energy	-227.880327
Nuclear repulsion energy	122.737846

Atom	x (Å)	y (Å)	z (Å)
C1	1.352	0.406	0.000
O2	0.000	0.870	0.000
C3	-0.924	-0.087	0.000
O4	-0.715	-1.268	0.000
H5	1.973	1.296	0.000
H6	1.548	-0.195	0.887
H7	1.548	-0.195	-0.887
H8	-1.920	0.367	0.000

	C1	O2	C3	O4	H5	H6	H7	H8
C1		1.4300	2.3297	2.6595	1.0854	1.0888	1.0888	3.2729
O2	1.4300		1.3308	2.2539	2.0182	2.0779	2.0779	1.9848
C3	2.3297	1.3308		1.1988	3.2106	2.6293	2.6293	1.0946
O4	2.6595	2.2539	1.1988		3.7143	2.6569	2.6569	2.0315
H5	1.0854	2.0182	3.2106	3.7143		1.7861	1.7861	4.0021
H6	1.0888	2.0779	2.6293	2.6569	1.7861		1.7740	3.6240
H7	1.0888	2.0779	2.6293	2.6569	1.7861	1.7740		3.6240
H8	3.2729	1.9848	1.0946	2.0315	4.0021	3.6240	3.6240

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	115.051	O2	C1	H5	105.890
O2	C1	H6	110.438	O2	C1	H7	110.438
O2	C3	O4	125.918	O2	C3	H8	109.451
O4	C3	H8	124.631	H5	C1	H6	110.472
H5	C1	H7	110.472	H6	C1	H7	109.105

All results from a given calculation for CH₃OCHO (methyl formate)

using model chemistry: CCSD/aug-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 CH3OCHO (methyl formate)

using model chemistry: CCSD/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃OCHO (methyl formate)