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	hartrees
Energy at 0K	-228.592465
Energy at 298.15K	-228.597450
HF Energy	-227.811410
Nuclear repulsion energy	122.943834

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3260	3064	7.35
2	A'	3134	2946	12.38
3	A'	3120	2933	52.49
4	A'	1825	1716	233.58
5	A'	1539	1447	10.24
6	A'	1498	1408	4.01
7	A'	1424	1338	1.02
8	A'	1269	1193	239.92
9	A'	1215	1142	58.96
10	A'	982	923	21.07
11	A'	789	741	8.07
12	A'	313	294	14.03
13	A"	3232	3038	10.91
14	A"	1529	1437	8.13
15	A"	1209	1136	0.96
16	A"	1074	1009	0.10
17	A"	358	337	23.36
18	A"	162	153	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	1.339	0.394	0.000
O2	0.000	0.880	0.000
C3	-0.915	-0.084	0.000
O4	-0.709	-1.267	0.000
H5	1.971	1.276	0.000
H6	1.530	-0.210	0.885
H7	1.530	-0.210	-0.885
H8	-1.908	0.383	0.000

	C1	O2	C3	O4	H5	H6	H7	H8
C1		1.4249	2.3046	2.6369	1.0848	1.0880	1.0880	3.2470
O2	1.4249		1.3288	2.2607	2.0105	2.0765	2.0765	1.9712
C3	2.3046	1.3288		1.2011	3.1903	2.6035	2.6035	1.0966
O4	2.6369	2.2607	1.2011		3.6942	2.6294	2.6294	2.0393
H5	1.0848	2.0105	3.1903	3.6942		1.7844	1.7844	3.9801
H6	1.0880	2.0765	2.6035	2.6294	1.7844		1.7698	3.5989
H7	1.0880	2.0765	2.6035	2.6294	1.7844	1.7698		3.5989
H8	3.2470	1.9712	1.0966	2.0393	3.9801	3.5989	3.5989

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	113.579	O2	C1	H5	105.668
O2	C1	H6	110.734	O2	C1	H7	110.734
O2	C3	O4	126.588	O2	C3	H8	108.344
O4	C3	H8	125.068	H5	C1	H6	110.424
H5	C1	H7	110.424	H6	C1	H7	108.840

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

using model chemistry: MP2=FULL/6-31G(2df,p)

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=FULL/6-31G(2df,p)

States and conformations

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