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	hartrees
Energy at 0K	-224.799383
Energy at 298.15K	-224.804188
Nuclear repulsion energy	121.114615

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3732	3047	0.16
2	A'	3583	2925	7.42
3	A'	3535	2886	2.90
4	A'	2102	1717	117.60
5	A'	1805	1474	6.49
6	A'	1743	1423	10.24
7	A'	1581	1291	30.55
8	A'	1436	1173	117.76
9	A'	1363	1113	3.73
10	A'	1113	909	29.92
11	A'	806	658	12.51
12	A'	335	274	9.46
13	A"	3704	3025	2.10
14	A"	1791	1462	3.01
15	A"	1318	1076	4.59
16	A"	1080	881	1.09
17	A"	291	238	19.41
18	A"	162	132	0.17

Atom	x (Å)	y (Å)	z (Å)
C1	1.344	0.402	0.000
O2	0.000	0.914	0.000
C3	-0.947	-0.102	0.000
O4	-0.690	-1.288	0.000
H5	2.011	1.265	0.000
H6	1.544	-0.206	0.887
H7	1.544	-0.206	-0.887
H8	-1.959	0.339	0.000

	C1	O2	C3	O4	H5	H6	H7	H8
C1		1.4380	2.3449	2.6441	1.0910	1.0936	1.0936	3.3028
O2	1.4380		1.3884	2.3075	2.0411	2.1038	2.1038	2.0412
C3	2.3449	1.3884		1.2135	3.2578	2.6462	2.6462	1.1039
O4	2.6441	2.3075	1.2135		3.7165	2.6365	2.6365	2.0630
H5	1.0910	2.0411	3.2578	3.7165		1.7797	1.7797	4.0758
H6	1.0936	2.1038	2.6462	2.6365	1.7797		1.7737	3.6544
H7	1.0936	2.1038	2.6462	2.6365	1.7797	1.7737		3.6544
H8	3.3028	2.0412	1.1039	2.0630	4.0758	3.6544	3.6544

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	112.113	O2	C1	H5	106.818
O2	C1	H6	111.685	O2	C1	H7	111.685
O2	C3	O4	124.824	O2	C3	H8	109.434
O4	C3	H8	125.742	H5	C1	H6	109.110
H5	C1	H7	109.110	H6	C1	H7	108.376

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

using model chemistry: HF/STO-3G

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	-0.064
2	O	-0.245
3	C	0.257
4	O	-0.247
5	H	0.079
6	H	0.074
7	H	0.074
8	H	0.072

	x	y	z	Total
	0.403	0.721	0.000	0.826
CHELPG
AIM
ESP

	x	y	z
x	2.671	0.214	0.000
y	0.214	2.481	0.000
z	0.000	0.000	1.170

<r²>	70.653
(<r²>)^1/2	8.406

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

using model chemistry: HF/STO-3G

States and conformations

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