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	hartrees
Energy at 0K	-229.087497
Energy at 298.15K	-229.092327
HF Energy	-229.087497
Nuclear repulsion energy	122.243168

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3171	3060	15.77
2	A'	3055	2948	13.27
3	A'	3040	2933	69.70
4	A'	1808	1744	246.82
5	A'	1507	1455	8.61
6	A'	1469	1418	3.56
7	A'	1402	1353	1.25
8	A'	1225	1182	164.16
9	A'	1182	1140	118.94
10	A'	940	907	20.34
11	A'	769	742	7.16
12	A'	293	283	13.59
13	A"	3134	3025	20.05
14	A"	1495	1442	6.43
15	A"	1176	1135	1.48
16	A"	1036	1000	0.06
17	A"	351	339	22.14
18	A"	109	106	0.12

Atom	x (Å)	y (Å)	z (Å)
C1	1.357	0.409	0.000
O2	0.000	0.873	0.000
C3	-0.926	-0.090	0.000
O4	-0.719	-1.275	0.000
H5	1.976	1.306	0.000
H6	1.555	-0.194	0.890
H7	1.555	-0.194	-0.890
H8	-1.922	0.381	0.000

	C1	O2	C3	O4	H5	H6	H7	H8
C1		1.4341	2.3374	2.6733	1.0898	1.0931	1.0931	3.2792
O2	1.4341		1.3358	2.2648	2.0231	2.0855	2.0855	1.9839
C3	2.3374	1.3358		1.2033	3.2207	2.6385	2.6385	1.1011
O4	2.6733	2.2648	1.2033		3.7317	2.6706	2.6706	2.0466
H5	1.0898	2.0231	3.2207	3.7317		1.7944	1.7944	4.0063
H6	1.0931	2.0855	2.6385	2.6706	1.7944		1.7792	3.6351
H7	1.0931	2.0855	2.6385	2.6706	1.7944	1.7792		3.6351
H8	3.2792	1.9839	1.1011	2.0466	4.0063	3.6351	3.6351

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	115.050	O2	C1	H5	105.751
O2	C1	H6	110.492	O2	C1	H7	110.492
O2	C3	O4	126.171	O2	C3	H8	108.610
O4	C3	H8	125.219	H5	C1	H6	110.573
H5	C1	H7	110.573	H6	C1	H7	108.941

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

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

States and conformations

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