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	hartrees
Energy at 0K	-44.579575
Energy at 298.15K	-44.584498
Nuclear repulsion energy	67.749099

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3404	3068	41.81
2	A'	3388	3054	49.79
3	A'	3262	2940	43.73
4	A'	1818	1639	400.37
5	A'	1634	1473	12.47
6	A'	1599	1442	8.14
7	A'	1495	1348	10.95
8	A'	1336	1204	327.91
9	A'	1288	1161	137.21
10	A'	962	867	36.64
11	A'	797	719	15.39
12	A'	293	264	22.86
13	A"	3365	3034	57.18
14	A"	1629	1469	11.87
15	A"	1276	1150	4.11
16	A"	1137	1025	1.08
17	A"	333	301	66.14
18	A"	140	127	0.34

Atom	x (Å)	y (Å)	z (Å)
C1	1.392	0.408	0.000
O2	0.000	0.843	0.000
C3	-0.985	-0.078	0.000
O4	-0.805	-1.287	0.000
H5	1.972	1.319	0.000
H6	1.593	-0.183	0.888
H7	1.593	-0.183	-0.888
H8	-1.958	0.394	0.000

	C1	O2	C3	O4	H5	H6	H7	H8
C1		1.4589	2.4261	2.7750	1.0804	1.0847	1.0847	3.3500
O2	1.4589		1.3488	2.2779	2.0284	2.0925	2.0925	2.0086
C3	2.4261	1.3488		1.2224	3.2702	2.7283	2.7283	1.0817
O4	2.7750	2.2779	1.2224		3.8086	2.7854	2.7854	2.0389
H5	1.0804	2.0284	3.2702	3.8086		1.7854	1.7854	4.0369
H6	1.0847	2.0925	2.7283	2.7854	1.7854		1.7752	3.7052
H7	1.0847	2.0925	2.7283	2.7854	1.7854	1.7752		3.7052
H8	3.3500	2.0086	1.0817	2.0389	4.0369	3.7052	3.7052

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	119.508	O2	C1	H5	105.057
O2	C1	H6	109.833	O2	C1	H7	109.833
O2	C3	O4	124.652	O2	C3	H8	110.985
O4	C3	H8	124.363	H5	C1	H6	111.099
H5	C1	H7	111.099	H6	C1	H7	109.822

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

using model chemistry: HF/CEP-31G

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	-0.205
2	O	-0.320
3	C	0.080
4	O	-0.273
5	H	0.186
6	H	0.168
7	H	0.168
8	H	0.195

	x	y	z	Total
	1.110	1.954	0.000	2.248
CHELPG
AIM
ESP

	x	y	z
x	3.879	0.299	0.000
y	0.299	4.041	0.000
z	0.000	0.000	2.535

<r²>	61.783
(<r²>)^1/2	7.860

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

using model chemistry: HF/CEP-31G

States and conformations

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