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	hartrees
Energy at 0K	-228.692457
Energy at 298.15K	-228.697416
HF Energy	-227.876977
Nuclear repulsion energy	122.846633

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3194	3006	12.85
2	A'	3107	2925	43.39
3	A'	3084	2903	26.42
4	A'	1844	1735	286.43
5	A'	1524	1435	10.33
6	A'	1493	1405	3.73
7	A'	1427	1344	1.49
8	A'	1273	1198	285.16
9	A'	1217	1145	53.52
10	A'	978	921	25.35
11	A'	791	744	8.34
12	A'	314	296	14.29
13	A"	3164	2978	18.11
14	A"	1511	1422	8.05
15	A"	1201	1131	1.89
16	A"	1076	1013	0.05
17	A"	341	321	26.93
18	A"	151	142	0.12

Atom	x (Å)	y (Å)	z (Å)
C1	1.350	0.404	0.000
O2	0.000	0.871	0.000
C3	-0.923	-0.087	0.000
O4	-0.714	-1.267	0.000
H5	1.972	1.292	0.000
H6	1.547	-0.197	0.886
H7	1.547	-0.197	-0.886
H8	-1.918	0.368	0.000

	C1	O2	C3	O4	H5	H6	H7	H8
C1		1.4284	2.3248	2.6546	1.0846	1.0880	1.0880	3.2674
O2	1.4284		1.3304	2.2538	2.0166	2.0779	2.0779	1.9824
C3	2.3248	1.3304		1.1978	3.2066	2.6258	2.6258	1.0942
O4	2.6546	2.2538	1.1978		3.7093	2.6528	2.6528	2.0304
H5	1.0846	2.0166	3.2066	3.7093		1.7838	1.7838	3.9979
H6	1.0880	2.0779	2.6258	2.6528	1.7838		1.7712	3.6201
H7	1.0880	2.0779	2.6258	2.6528	1.7838	1.7712		3.6201
H8	3.2674	1.9824	1.0942	2.0304	3.9979	3.6201	3.6201

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	114.803	O2	C1	H5	105.917
O2	C1	H6	110.600	O2	C1	H7	110.600
O2	C3	O4	126.032	O2	C3	H8	109.307
O4	C3	H8	124.660	H5	C1	H6	110.371
H5	C1	H7	110.371	H6	C1	H7	108.963

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

using model chemistry: CCSD/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/cc-pVTZ

States and conformations

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