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	hartrees
Energy at 0K	-228.553030
Energy at 298.15K	-228.558008
Nuclear repulsion energy	122.473471

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3194	3048	16.45
2	A'	3095	2953	51.73
3	A'	3080	2939	33.16
4	A'	1836	1752	274.62
5	A'	1526	1456	10.14
6	A'	1501	1432	2.21
7	A'	1427	1361	1.26
8	A'	1264	1206	252.74
9	A'	1215	1159	85.96
10	A'	976	931	25.23
11	A'	789	753	8.24
12	A'	319	305	13.96
13	A"	3159	3014	24.72
14	A"	1511	1442	6.93
15	A"	1204	1149	2.40
16	A"	1064	1015	0.33
17	A"	340	324	27.79
18	A"	164	156	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	1.353	0.398	0.000
O2	0.000	0.880	0.000
C3	-0.928	-0.088	0.000
O4	-0.711	-1.269	0.000
H5	1.979	1.290	0.000
H6	1.543	-0.207	0.890
H7	1.543	-0.207	-0.890
H8	-1.926	0.374	0.000

	C1	O2	C3	O4	H5	H6	H7	H8
C1		1.4359	2.3321	2.6526	1.0898	1.0933	1.0933	3.2785
O2	1.4359		1.3409	2.2632	2.0212	2.0869	2.0869	1.9912
C3	2.3321	1.3409		1.2009	3.2173	2.6297	2.6297	1.0991
O4	2.6526	2.2632	1.2009		3.7125	2.6459	2.6459	2.0430
H5	1.0898	2.0212	3.2173	3.7125		1.7954	1.7954	4.0110
H6	1.0933	2.0869	2.6297	2.6459	1.7954		1.7809	3.6282
H7	1.0933	2.0869	2.6297	2.6459	1.7954	1.7809		3.6282
H8	3.2785	1.9912	1.0991	2.0430	4.0110	3.6282	3.6282

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	114.208	O2	C1	H5	105.487
O2	C1	H6	110.476	O2	C1	H7	110.476
O2	C3	O4	125.755	O2	C3	H8	108.988
O4	C3	H8	125.258	H5	C1	H6	110.650
H5	C1	H7	110.650	H6	C1	H7	109.071

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

using model chemistry: QCISD/6-311G**

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/6-311G**

States and conformations

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