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	hartrees
Energy at 0K	-228.734017
Energy at 298.15K	-228.738994
HF Energy	-227.876589
Nuclear repulsion energy	122.940526

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3231	3067	8.98
2	A'	3128	2969	37.36
3	A'	3119	2962	31.18
4	A'	1803	1712	257.40
5	A'	1533	1456	10.14
6	A'	1489	1414	3.91
7	A'	1424	1352	1.24
8	A'	1262	1198	259.70
9	A'	1205	1144	61.25
10	A'	973	924	24.79
11	A'	783	743	8.11
12	A'	312	296	13.68
13	A"	3197	3035	13.67
14	A"	1521	1444	9.39
15	A"	1199	1139	1.45
16	A"	1071	1017	0.03
17	A"	349	332	24.76
18	A"	162	154	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	1.344	0.399	0.000
O2	0.000	0.876	0.000
C3	-0.920	-0.085	0.000
O4	-0.709	-1.267	0.000
H5	1.968	1.280	0.000
H6	1.535	-0.201	0.882
H7	1.535	-0.201	-0.882
H8	-1.909	0.373	0.000

	C1	O2	C3	O4	H5	H6	H7	H8
C1		1.4258	2.3149	2.6440	1.0798	1.0836	1.0836	3.2527
O2	1.4258		1.3303	2.2574	2.0095	2.0718	2.0718	1.9740
C3	2.3149	1.3303		1.2008	3.1947	2.6109	2.6109	1.0898
O4	2.6440	2.2574	1.2008		3.6955	2.6363	2.6363	2.0322
H5	1.0798	2.0095	3.1947	3.6955		1.7770	1.7770	3.9819
H6	1.0836	2.0718	2.6109	2.6363	1.7770		1.7637	3.6008
H7	1.0836	2.0718	2.6109	2.6363	1.7770	1.7637		3.6008
H8	3.2527	1.9740	1.0898	2.0322	3.9819	3.6008	3.6008

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	114.219	O2	C1	H5	105.820
O2	C1	H6	110.568	O2	C1	H7	110.568
O2	C3	O4	126.135	O2	C3	H8	108.899
O4	C3	H8	124.966	H5	C1	H6	110.460
H5	C1	H7	110.460	H6	C1	H7	108.946

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

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

States and conformations

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