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	hartrees
Energy at 0K	-228.406069
Energy at 298.15K	-228.411037
HF Energy	-227.787256
Nuclear repulsion energy	122.391674

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3247	3048	13.23
2	A'	3154	2960	45.57
3	A'	3131	2938	23.96
4	A'	1898	1781	279.34
5	A'	1557	1462	9.63
6	A'	1525	1432	3.56
7	A'	1455	1366	3.46
8	A'	1300	1220	313.46
9	A'	1237	1161	34.65
10	A'	994	933	25.82
11	A'	800	751	10.00
12	A'	319	300	16.15
13	A"	3216	3018	18.53
14	A"	1548	1453	6.81
15	A"	1215	1140	1.69
16	A"	1071	1005	0.55
17	A"	343	322	31.90
18	A"	159	149	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	1.356	0.400	0.000
O2	0.000	0.878	0.000
C3	-0.930	-0.086	0.000
O4	-0.712	-1.270	0.000
H5	1.976	1.294	0.000
H6	1.546	-0.203	0.890
H7	1.546	-0.203	-0.890
H8	-1.930	0.365	0.000

	C1	O2	C3	O4	H5	H6	H7	H8
C1		1.4376	2.3366	2.6579	1.0885	1.0916	1.0916	3.2858
O2	1.4376		1.3390	2.2629	2.0197	2.0859	2.0859	1.9967
C3	2.3366	1.3390		1.2044	3.2171	2.6339	2.6339	1.0971
O4	2.6579	2.2629	1.2044		3.7152	2.6518	2.6518	2.0393
H5	1.0885	2.0197	3.2171	3.7152		1.7937	1.7937	4.0151
H6	1.0916	2.0859	2.6339	2.6518	1.7937		1.7800	3.6330
H7	1.0916	2.0859	2.6339	2.6518	1.7937	1.7800		3.6330
H8	3.2858	1.9967	1.0971	2.0393	4.0151	3.6330	3.6330

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	114.561	O2	C1	H5	105.339
O2	C1	H6	110.378	O2	C1	H7	110.378
O2	C3	O4	125.599	O2	C3	H8	109.697
O4	C3	H8	124.704	H5	C1	H6	110.729
H5	C1	H7	110.729	H6	C1	H7	109.247

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

using model chemistry: MP3/6-31G*

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

using model chemistry: MP3/6-31G*

States and conformations

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