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	hartrees
Energy at 0K	-228.422174
Energy at 298.15K	-228.427110
HF Energy	-227.785921
Nuclear repulsion energy	121.895376

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3211	3058	14.97
2	A'	3119	2970	50.05
3	A'	3098	2950	26.47
4	A'	1839	1751	252.90
5	A'	1545	1471	8.60
6	A'	1508	1436	3.27
7	A'	1433	1365	2.32
8	A'	1270	1210	268.93
9	A'	1219	1161	58.91
10	A'	969	923	23.80
11	A'	784	747	9.09
12	A'	315	300	15.58
13	A"	3182	3030	20.47
14	A"	1536	1463	6.14
15	A"	1201	1144	1.70
16	A"	1051	1001	0.52
17	A"	343	327	30.89
18	A"	155	148	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	1.360	0.413	0.000
O2	0.000	0.876	0.000
C3	-0.929	-0.090	0.000
O4	-0.720	-1.282	0.000
H5	1.976	1.314	0.000
H6	1.562	-0.189	0.892
H7	1.562	-0.189	-0.892
H8	-1.930	0.370	0.000

	C1	O2	C3	O4	H5	H6	H7	H8
C1		1.4365	2.3438	2.6831	1.0914	1.0948	1.0948	3.2903
O2	1.4365		1.3404	2.2747	2.0242	2.0902	2.0902	1.9952
C3	2.3438	1.3404		1.2098	3.2269	2.6478	2.6478	1.1019
O4	2.6831	2.2747	1.2098		3.7427	2.6828	2.6828	2.0481
H5	1.0914	2.0242	3.2269	3.7427		1.7960	1.7960	4.0186
H6	1.0948	2.0902	2.6478	2.6828	1.7960		1.7836	3.6473
H7	1.0948	2.0902	2.6478	2.6828	1.7960	1.7836		3.6473
H8	3.2903	1.9952	1.1019	2.0481	4.0186	3.6473	3.6473

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	115.087	O2	C1	H5	105.586
O2	C1	H6	110.600	O2	C1	H7	110.600
O2	C3	O4	126.166	O2	C3	H8	109.164
O4	C3	H8	124.670	H5	C1	H6	110.466
H5	C1	H7	110.466	H6	C1	H7	109.092

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

using model chemistry: QCISD/6-31G*

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

using model chemistry: QCISD/6-31G*

States and conformations

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