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	hartrees
Energy at 0K	-228.459761
Energy at 298.15K	-228.464683
HF Energy	-227.798870
Nuclear repulsion energy	121.784756

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3290	3090	9.12
2	A'	3179	2986	38.78
3	A'	3151	2959	27.54
4	A'	1778	1670	306.28
5	A'	1550	1455	8.96
6	A'	1508	1416	3.87
7	A'	1423	1336	1.01
8	A'	1261	1184	244.78
9	A'	1208	1134	97.78
10	A'	954	896	29.35
11	A'	771	724	8.21
12	A'	304	286	14.59
13	A"	3255	3057	14.60
14	A"	1538	1445	8.03
15	A"	1200	1127	2.37
16	A"	1045	981	0.05
17	A"	346	325	30.51
18	A"	151	142	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	1.362	0.405	0.000
O2	0.000	0.884	0.000
C3	-0.934	-0.086	0.000
O4	-0.714	-1.283	0.000
H5	1.975	1.297	0.000
H6	1.547	-0.194	0.887
H7	1.547	-0.194	-0.887
H8	-1.926	0.369	0.000

	C1	O2	C3	O4	H5	H6	H7	H8
C1		1.4441	2.3480	2.6757	1.0826	1.0860	1.0860	3.2888
O2	1.4441		1.3467	2.2822	2.0176	2.0836	2.0836	1.9942
C3	2.3480	1.3467		1.2177	3.2210	2.6366	2.6366	1.0917
O4	2.6757	2.2822	1.2177		3.7268	2.6613	2.6613	2.0497
H5	1.0826	2.0176	3.2210	3.7268		1.7874	1.7874	4.0102
H6	1.0860	2.0836	2.6366	2.6613	1.7874		1.7741	3.6284
H7	1.0860	2.0836	2.6366	2.6613	1.7874	1.7741		3.6284
H8	3.2888	1.9942	1.0917	2.0497	4.0102	3.6284	3.6284

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	114.519	O2	C1	H5	105.073
O2	C1	H6	110.073	O2	C1	H7	110.073
O2	C3	O4	125.661	O2	C3	H8	109.288
O4	C3	H8	125.052	H5	C1	H6	111.009
H5	C1	H7	111.009	H6	C1	H7	109.531

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

using model chemistry: MP2=FULL/6-31+G**

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=FULL/6-31+G**

States and conformations

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