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	hartrees
Energy at 0K	-227.735904
Energy at 298.15K	-227.740603
Nuclear repulsion energy	118.345906

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3085	3068	4.82
2	A'	2997	2980	18.87
3	A'	2972	2956	74.03
4	A'	1661	1652	154.64
5	A'	1517	1508	8.63
6	A'	1403	1395	24.78
7	A'	1358	1350	1.17
8	A'	1147	1141	2.36
9	A'	1052	1047	238.31
10	A'	832	828	5.10
11	A'	714	710	9.75
12	A'	320	318	16.22
13	A"	3077	3060	23.08
14	A"	1528	1519	5.69
15	A"	1112	1105	0.50
16	A"	982	976	1.40
17	A"	321	319	24.27
18	A"	91	90	0.14

Atom	x (Å)	y (Å)	z (Å)
C1	-1.426	0.422	0.000
O2	0.000	0.908	0.000
C3	0.966	-0.102	0.000
O4	0.757	-1.319	0.000
H5	-1.427	-0.677	0.000
H6	-1.907	0.821	0.903
H7	-1.907	0.821	-0.903
H8	1.948	0.401	0.000

	C1	O2	C3	O4	H5	H6	H7	H8
C1		1.5067	2.4487	2.7917	1.0986	1.0984	1.0984	3.3739
O2	1.5067		1.3977	2.3521	2.1325	2.1118	2.1118	2.0129
C3	2.4487	1.3977		1.2347	2.4607	3.1500	3.1500	1.1031
O4	2.7917	2.3521	1.2347		2.2757	3.5343	3.5343	2.0919
H5	1.0986	2.1325	2.4607	2.2757		1.8141	1.8141	3.5424
H6	1.0984	2.1118	3.1500	3.5343	1.8141		1.8059	3.9815
H7	1.0984	2.1118	3.1500	3.5343	1.8141	1.8059		3.9815
H8	3.3739	2.0129	1.1031	2.0919	3.5424	3.9815	3.9815

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	114.881	O2	C1	H5	108.871
O2	C1	H6	107.274	O2	C1	H7	107.274
O2	C3	O4	126.519	O2	C3	H8	106.607
O4	C3	H8	126.874	H5	C1	H6	111.328
H5	C1	H7	111.328	H6	C1	H7	110.581

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

using model chemistry: BLYP/3-21G

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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Number	Element	Mulliken
1	C	-0.355
2	O	-0.419
3	C	0.376
4	O	-0.414
5	H	0.214
6	H	0.205
7	H	0.205
8	H	0.186

	x	y	z	Total
	-1.056	1.179	0.000	1.583
CHELPG
AIM
ESP

<r²>	74.233
(<r²>)^1/2	8.616

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

using model chemistry: BLYP/3-21G

States and conformations

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