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	hartrees
Energy at 0K	-45.325724
Energy at 298.15K	-45.330643
HF Energy	-44.702378
Nuclear repulsion energy	67.994507

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3240	3087	14.59
2	A'	3130	2982	47.76
3	A'	3099	2952	30.01
4	A'	1751	1668	287.06
5	A'	1533	1460	8.50
6	A'	1497	1426	4.76
7	A'	1405	1339	1.01
8	A'	1244	1186	210.67
9	A'	1198	1141	129.88
10	A'	945	900	30.43
11	A'	763	727	7.66
12	A'	310	295	14.22
13	A"	3206	3055	21.79
14	A"	1523	1451	7.67
15	A"	1188	1132	1.93
16	A"	1022	974	0.22
17	A"	344	328	30.53
18	A"	156	149	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	1.368	0.397	0.000
O2	0.000	0.895	0.000
C3	-0.940	-0.084	0.000
O4	-0.714	-1.286	0.000
H5	1.988	1.292	0.000
H6	1.546	-0.206	0.893
H7	1.546	-0.206	-0.893
H8	-1.938	0.375	0.000

	C1	O2	C3	O4	H5	H6	H7	H8
C1		1.4562	2.3576	2.6779	1.0888	1.0921	1.0921	3.3060
O2	1.4562		1.3573	2.2956	2.0276	2.0979	2.0979	2.0062
C3	2.3576	1.3573		1.2232	3.2354	2.6442	2.6442	1.0985
O4	2.6779	2.2956	1.2232		3.7354	2.6596	2.6596	2.0633
H5	1.0888	2.0276	3.2354	3.7354		1.7993	1.7993	4.0317
H6	1.0921	2.0979	2.6442	2.6596	1.7993		1.7853	3.6431
H7	1.0921	2.0979	2.6442	2.6596	1.7993	1.7853		3.6431
H8	3.3060	2.0062	1.0985	2.0633	4.0317	3.6431	3.6431

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	113.808	O2	C1	H5	104.708
O2	C1	H6	110.005	O2	C1	H7	110.005
O2	C3	O4	125.567	O2	C3	H8	109.103
O4	C3	H8	125.330	H5	C1	H6	111.187
H5	C1	H7	111.187	H6	C1	H7	109.655

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

using model chemistry: MP2/CEP-121G*

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/CEP-121G*

States and conformations

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