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	hartrees
Energy at 0K	-228.695040
Energy at 298.15K	-228.699982
HF Energy	-227.879075
Nuclear repulsion energy	122.416019

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3224	3072	7.38
2	A'	3113	2966	35.13
3	A'	3096	2950	25.58
4	A'	1768	1685	288.74
5	A'	1519	1448	10.42
6	A'	1479	1409	3.95
7	A'	1399	1333	1.31
8	A'	1247	1188	240.49
9	A'	1193	1137	87.56
10	A'	954	909	27.33
11	A'	772	735	7.47
12	A'	308	294	13.80
13	A"	3189	3039	11.61
14	A"	1512	1441	9.63
15	A"	1187	1131	1.59
16	A"	1046	997	0.14
17	A"	347	330	25.53
18	A"	155	148	0.14

Atom	x (Å)	y (Å)	z (Å)
C1	1.352	0.404	0.000
O2	0.000	0.876	0.000
C3	-0.925	-0.087	0.000
O4	-0.713	-1.273	0.000
H5	1.974	1.292	0.000
H6	1.544	-0.197	0.886
H7	1.544	-0.197	-0.886
H8	-1.919	0.373	0.000

	C1	O2	C3	O4	H5	H6	H7	H8
C1		1.4317	2.3286	2.6602	1.0839	1.0878	1.0878	3.2704
O2	1.4317		1.3346	2.2642	2.0171	2.0784	2.0784	1.9833
C3	2.3286	1.3346		1.2052	3.2094	2.6251	2.6251	1.0951
O4	2.6602	2.2642	1.2052		3.7145	2.6529	2.6529	2.0404
H5	1.0839	2.0171	3.2094	3.7145		1.7849	1.7849	3.9992
H6	1.0878	2.0784	2.6251	2.6529	1.7849		1.7721	3.6192
H7	1.0878	2.0784	2.6251	2.6529	1.7849	1.7721		3.6192
H8	3.2704	1.9833	1.0951	2.0404	3.9992	3.6192	3.6192

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	114.606	O2	C1	H5	105.777
O2	C1	H6	110.421	O2	C1	H7	110.421
O2	C3	O4	126.049	O2	C3	H8	109.023
O4	C3	H8	124.928	H5	C1	H6	110.552
H5	C1	H7	110.552	H6	C1	H7	109.091

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

using model chemistry: MP2/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: MP2/aug-cc-pVTZ

States and conformations

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