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	hartrees
Energy at 0K	-228.585477
Energy at 298.15K	-228.590451
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3221	3045	11.11
2	A'	3117	2947	32.65
3	A'	3109	2940	31.27
4	A'	1864	1763	258.93
5	A'	1531	1448	10.04
6	A'	1504	1422	3.75
7	A'	1437	1359	1.87
8	A'	1277	1208	267.18
9	A'	1224	1158	50.25
10	A'	984	930	22.31
11	A'	794	751	8.24
12	A'	316	299	14.56
13	A"	3193	3019	14.83
14	A"	1518	1436	6.89
15	A"	1208	1142	1.52
16	A"	1082	1023	0.40
17	A"	347	328	25.70
18	A"	158	149	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	1.346	0.398	0.000
O2	0.000	0.875	0.000
C3	-0.920	-0.085	0.000
O4	-0.712	-1.265	0.000
H5	1.976	1.285	0.000
H6	1.540	-0.207	0.888
H7	1.540	-0.207	-0.888
H8	-1.916	0.376	0.000

	C1	O2	C3	O4	H5	H6	H7	H8
C1		1.4278	2.3162	2.6454	1.0879	1.0911	1.0911	3.2614
O2	1.4278		1.3298	2.2556	2.0176	2.0804	2.0804	1.9798
C3	2.3162	1.3298		1.1981	3.2031	2.6173	2.6173	1.0975
O4	2.6454	2.2556	1.1981		3.7046	2.6415	2.6415	2.0351
H5	1.0879	2.0176	3.2031	3.7046		1.7892	1.7892	3.9961
H6	1.0911	2.0804	2.6173	2.6415	1.7892		1.7752	3.6146
H7	1.0911	2.0804	2.6173	2.6415	1.7892	1.7752		3.6146
H8	3.2614	1.9798	1.0975	2.0351	3.9961	3.6146	3.6146

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	114.220	O2	C1	H5	105.852
O2	C1	H6	110.653	O2	C1	H7	110.653
O2	C3	O4	126.250	O2	C3	H8	108.925
O4	C3	H8	124.825	H5	C1	H6	110.392
H5	C1	H7	110.392	H6	C1	H7	108.882

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

using model chemistry: CCSD/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: CCSD/6-31G(2df,p)

States and conformations

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