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	hartrees
Energy at 0K	-228.761622
Energy at 298.15K	-228.766591
HF Energy	-227.879977
Nuclear repulsion energy	122.833133

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3222	3065	7.29
2	A'	3115	2964	14.04
3	A'	3111	2960	46.92
4	A'	1782	1696	291.65
5	A'	1529	1455	10.75
6	A'	1485	1412	4.15
7	A'	1407	1338	1.65
8	A'	1257	1196	244.73
9	A'	1200	1141	82.13
10	A'	962	915	27.33
11	A'	777	739	7.73
12	A'	310	295	13.97
13	A"	3188	3033	11.35
14	A"	1525	1451	10.01
15	A"	1198	1140	1.50
16	A"	1068	1016	0.11
17	A"	352	335	25.41
18	A"	160	152	0.12

Atom	x (Å)	y (Å)	z (Å)
C1	1.346	0.401	0.000
O2	0.000	0.874	0.000
C3	-0.921	-0.086	0.000
O4	-0.710	-1.268	0.000
H5	1.970	1.285	0.000
H6	1.535	-0.199	0.884
H7	1.535	-0.199	-0.884
H8	-1.911	0.374	0.000

	C1	O2	C3	O4	H5	H6	H7	H8
C1		1.4271	2.3189	2.6487	1.0816	1.0852	1.0852	3.2572
O2	1.4271		1.3302	2.2573	2.0121	2.0713	2.0713	1.9751
C3	2.3189	1.3302		1.2015	3.1992	2.6127	2.6127	1.0913
O4	2.6487	2.2573	1.2015		3.7015	2.6392	2.6392	2.0346
H5	1.0816	2.0121	3.1992	3.7015		1.7814	1.7814	3.9860
H6	1.0852	2.0713	2.6127	2.6392	1.7814		1.7685	3.6033
H7	1.0852	2.0713	2.6127	2.6392	1.7814	1.7685		3.6033
H8	3.2572	1.9751	1.0913	2.0346	3.9860	3.6033	3.6033

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	114.450	O2	C1	H5	105.827
O2	C1	H6	110.325	O2	C1	H7	110.325
O2	C3	O4	126.074	O2	C3	H8	108.907
O4	C3	H8	125.018	H5	C1	H6	110.595
H5	C1	H7	110.595	H6	C1	H7	109.143

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

using model chemistry: MP2=FULL/aug-cc-pVTZ

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/aug-cc-pVTZ

States and conformations

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