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	hartrees
Energy at 0K	-228.443835
Energy at 298.15K	-228.448783
HF Energy	-227.792428
Nuclear repulsion energy	122.094206

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3291	3075	12.06
2	A'	3168	2960	46.94
3	A'	3155	2948	30.98
4	A'	1819	1700	231.93
5	A'	1560	1458	7.95
6	A'	1516	1416	3.19
7	A'	1436	1342	1.02
8	A'	1270	1187	257.46
9	A'	1219	1139	68.07
10	A'	973	909	22.75
11	A'	781	729	9.11
12	A'	311	291	14.53
13	A"	3257	3043	18.06
14	A"	1552	1450	5.79
15	A"	1209	1130	1.89
16	A"	1054	985	0.22
17	A"	352	329	27.27
18	A"	152	142	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	1.354	0.398	0.000
O2	0.000	0.887	0.000
C3	-0.930	-0.085	0.000
O4	-0.709	-1.279	0.000
H5	1.977	1.283	0.000
H6	1.538	-0.204	0.885
H7	1.538	-0.204	-0.885
H8	-1.923	0.372	0.000

	C1	O2	C3	O4	H5	H6	H7	H8
C1		1.4396	2.3347	2.6584	1.0826	1.0859	1.0859	3.2769
O2	1.4396		1.3455	2.2791	2.0163	2.0833	2.0833	1.9907
C3	2.3347	1.3455		1.2142	3.2131	2.6252	2.6252	1.0928
O4	2.6584	2.2791	1.2142		3.7120	2.6436	2.6436	2.0491
H5	1.0826	2.0163	3.2131	3.7120		1.7853	1.7853	4.0049
H6	1.0859	2.0833	2.6252	2.6436	1.7853		1.7695	3.6188
H7	1.0859	2.0833	2.6252	2.6436	1.7853	1.7695		3.6188
H8	3.2769	1.9907	1.0928	2.0491	4.0049	3.6188	3.6188

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	113.875	O2	C1	H5	105.270
O2	C1	H6	110.376	O2	C1	H7	110.376
O2	C3	O4	125.759	O2	C3	H8	109.022
O4	C3	H8	125.219	H5	C1	H6	110.829
H5	C1	H7	110.829	H6	C1	H7	109.125

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G**

States and conformations

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