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	hartrees
Energy at 0K	-229.090501
Energy at 298.15K	-229.095082
Nuclear repulsion energy	119.046152

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3121	3029	21.10
2	A'	3036	2946	37.45
3	A'	2963	2876	58.63
4	A'	1820	1766	433.06
5	A'	1481	1438	12.15
6	A'	1454	1411	0.61
7	A'	1385	1344	0.05
8	A'	1249	1212	198.37
9	A'	1106	1073	173.15
10	A'	1019	989	55.24
11	A'	633	614	6.04
12	A'	373	361	1.16
13	A"	3140	3047	14.93
14	A"	1455	1412	5.61
15	A"	1160	1126	0.36
16	A"	1020	990	0.00
17	A"	195	189	5.40
18	A"	60	58	1.98

Atom	x (Å)	y (Å)	z (Å)
C1	-1.401	0.941	0.000
O2	0.000	0.624	0.000
C3	0.357	-0.678	0.000
O4	1.503	-1.035	0.000
H5	-2.015	0.028	0.000
H6	-1.620	1.531	0.898
H7	-1.620	1.531	-0.898
H8	-0.510	-1.372	0.000

	C1	O2	C3	O4	H5	H6	H7	H8
C1		1.4366	2.3903	3.5131	1.0996	1.0963	1.0963	2.4787
O2	1.4366		1.3501	2.2390	2.1010	2.0623	2.0623	2.0600
C3	2.3903	1.3501		1.2005	2.4752	3.0978	3.0978	1.1107
O4	3.5131	2.2390	1.2005		3.6756	4.1410	4.1410	2.0413
H5	1.0996	2.1010	2.4752	3.6756		1.7943	1.7943	2.0558
H6	1.0963	2.0623	3.0978	4.1410	1.7943		1.7951	3.2351
H7	1.0963	2.0623	3.0978	4.1410	1.7943	1.7951		3.2351
H8	2.4787	2.0600	1.1107	2.0413	2.0558	3.2351	3.2351

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	118.096	O2	C1	H5	111.174
O2	C1	H6	108.268	O2	C1	H7	108.268
O2	C3	O4	122.657	O2	C3	H8	113.317
O4	C3	H8	124.026	H5	C1	H6	109.597
H5	C1	H7	109.597	H6	C1	H7	109.912

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

using model chemistry: B3LYP/aug-cc-pVDZ

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: B3LYP/aug-cc-pVDZ

States and conformations

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