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	hartrees
Energy at 0K	-227.789420
Energy at 298.15K
HF Energy	-227.789420
Nuclear repulsion energy	123.802102

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3356	3015	26.00
2	A'	3304	2968	63.01
3	A'	3253	2923	32.32
4	A'	2012	1808	389.92
5	A'	1649	1481	8.67
6	A'	1628	1463	2.41
7	A'	1550	1392	6.29
8	A'	1393	1252	399.12
9	A'	1324	1189	68.78
10	A'	1039	934	33.54
11	A'	851	764	12.23
12	A'	326	293	18.37
13	A"	3335	2996	30.95
14	A"	1644	1477	4.73
15	A"	1299	1167	3.76
16	A"	1186	1066	5.80
17	A"	348	313	39.31
18	A"	167	150	0.11

Atom	x (Å)	y (Å)	z (Å)
C1	1.353	0.419	0.000
O2	0.000	0.847	0.000
C3	-0.921	-0.093	0.000
O4	-0.719	-1.259	0.000
H5	1.947	1.319	0.000
H6	1.562	-0.170	0.882
H7	1.562	-0.170	-0.882
H8	-1.910	0.354	0.000

	C1	O2	C3	O4	H5	H6	H7	H8
C1		1.4192	2.3312	2.6660	1.0782	1.0804	1.0804	3.2631
O2	1.4192		1.3165	2.2256	2.0031	2.0617	2.0617	1.9722
C3	2.3312	1.3165		1.1835	3.1968	2.6361	2.6361	1.0846
O4	2.6660	2.2256	1.1835		3.7082	2.6767	2.6767	2.0050
H5	1.0782	2.0031	3.1968	3.7082		1.7723	1.7723	3.9752
H6	1.0804	2.0617	2.6361	2.6767	1.7723		1.7631	3.6196
H7	1.0804	2.0617	2.6361	2.6767	1.7723	1.7631		3.6196
H8	3.2631	1.9722	1.0846	2.0050	3.9752	3.6196	3.6196

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	116.848	O2	C1	H5	105.852
O2	C1	H6	110.412	O2	C1	H7	110.412
O2	C3	O4	125.725	O2	C3	H8	110.077
O4	C3	H8	124.198	H5	C1	H6	110.380
H5	C1	H7	110.380	H6	C1	H7	109.365

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

using model chemistry: HF/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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	x	y	z	Total
	0.877	1.783	0.000	1.987
CHELPG	0.908	1.778	0.000	1.997
AIM
ESP	0.909	1.772	0.000	1.992

Number	Element	Mulliken
1	C	-0.192
2	O	-0.569
3	C	0.542
4	O	-0.524
5	H	0.188
6	H	0.187
7	H	0.187
8	H	0.181

	x	y	z
x	4.110	0.249	0.000
y	0.249	4.029	0.000
z	0.000	0.000	2.665

<r²>	70.121
(<r²>)^1/2	8.374

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

using model chemistry: HF/6-31G*

States and conformations

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