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	hartrees
Energy at 0K	-226.946045
Energy at 298.15K	-226.950810
HF Energy	-226.508827
Nuclear repulsion energy	119.358706

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3230	3084	11.86
2	A'	3125	2983	51.39
3	A'	3109	2968	22.17
4	A'	1678	1602	138.84
5	A'	1601	1529	7.57
6	A'	1517	1449	10.56
7	A'	1439	1374	1.83
8	A'	1208	1153	64.51
9	A'	1161	1108	238.05
10	A'	898	857	10.04
11	A'	755	721	10.76
12	A'	289	276	15.35
13	A"	3181	3037	22.13
14	A"	1589	1517	6.77
15	A"	1192	1139	0.75
16	A"	1054	1007	0.11
17	A"	331	316	32.51
18	A"	92	88	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	1.399	0.393	0.000
O2	0.000	0.909	0.000
C3	-0.965	-0.084	0.000
O4	-0.731	-1.297	0.000
H5	2.018	1.287	0.000
H6	1.583	-0.214	0.889
H7	1.583	-0.214	-0.889
H8	-1.948	0.391	0.000

	C1	O2	C3	O4	H5	H6	H7	H8
C1		1.4918	2.4114	2.7189	1.0876	1.0921	1.0921	3.3474
O2	1.4918		1.3843	2.3246	2.0526	2.1352	2.1352	2.0158
C3	2.4114	1.3843		1.2363	3.2821	2.7012	2.7012	1.0921
O4	2.7189	2.3246	1.2363		3.7727	2.7046	2.7046	2.0818
H5	1.0876	2.0526	3.2821	3.7727		1.7987	1.7987	4.0655
H6	1.0921	2.1352	2.7012	2.7046	1.7987		1.7782	3.6911
H7	1.0921	2.1352	2.7012	2.7046	1.7987	1.7782		3.6911
H8	3.3474	2.0158	1.0921	2.0818	4.0655	3.6911	3.6911

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	113.896	O2	C1	H5	104.364
O2	C1	H6	110.498	O2	C1	H7	110.498
O2	C3	O4	124.921	O2	C3	H8	108.397
O4	C3	H8	126.681	H5	C1	H6	111.215
H5	C1	H7	111.215	H6	C1	H7	109.001

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

using model chemistry: MP2=FULL/3-21G

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/3-21G

States and conformations

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