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	hartrees
Energy at 0K	-228.495907
Energy at 298.15K	-228.500837
Nuclear repulsion energy	121.380057

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3229	3097	9.43
2	A'	3126	2997	39.06
3	A'	3094	2967	26.10
4	A'	1745	1673	284.58
5	A'	1488	1427	9.71
6	A'	1450	1391	3.74
7	A'	1383	1326	1.29
8	A'	1222	1172	207.94
9	A'	1173	1125	119.01
10	A'	935	897	27.32
11	A'	761	729	7.05
12	A'	306	293	13.70
13	A"	3193	3062	14.42
14	A"	1481	1420	8.78
15	A"	1171	1123	1.75
16	A"	1030	988	0.19
17	A"	343	329	25.65
18	A"	164	158	0.17

Atom	x (Å)	y (Å)	z (Å)
C1	1.364	0.395	0.000
O2	0.000	0.892	0.000
C3	-0.936	-0.083	0.000
O4	-0.713	-1.281	0.000
H5	1.995	1.290	0.000
H6	1.543	-0.214	0.897
H7	1.543	-0.214	-0.897
H8	-1.940	0.376	0.000

	C1	O2	C3	O4	H5	H6	H7	H8
C1		1.4517	2.3490	2.6684	1.0951	1.0985	1.0985	3.3034
O2	1.4517		1.3522	2.2872	2.0338	2.0995	2.0995	2.0072
C3	2.3490	1.3522		1.2182	3.2364	2.6394	2.6394	1.1036
O4	2.6684	2.2872	1.2182		3.7335	2.6518	2.6518	2.0615
H5	1.0951	2.0338	3.2364	3.7335		1.8081	1.8081	4.0390
H6	1.0985	2.0995	2.6394	2.6518	1.8081		1.7940	3.6441
H7	1.0985	2.0995	2.6394	2.6518	1.8081	1.7940		3.6441
H8	3.3034	2.0072	1.1036	2.0615	4.0390	3.6441	3.6441

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	113.766	O2	C1	H5	105.128
O2	C1	H6	110.059	O2	C1	H7	110.059
O2	C3	O4	125.628	O2	C3	H8	109.222
O4	C3	H8	125.150	H5	C1	H6	111.025
H5	C1	H7	111.025	H6	C1	H7	109.477

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

using model chemistry: MP2/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

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