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	hartrees
Energy at 0K	-228.420632
Energy at 298.15K	-228.425608
HF Energy	-227.787429
Nuclear repulsion energy	122.491663

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3248	3048	13.11
2	A'	3155	2961	45.70
3	A'	3132	2938	23.89
4	A'	1901	1784	279.88
5	A'	1558	1462	9.79
6	A'	1527	1433	3.65
7	A'	1456	1366	3.42
8	A'	1302	1222	313.57
9	A'	1238	1162	33.74
10	A'	995	934	25.87
11	A'	801	752	10.08
12	A'	320	300	16.18
13	A"	3216	3018	18.38
14	A"	1549	1454	6.95
15	A"	1217	1141	1.65
16	A"	1073	1007	0.56
17	A"	345	324	31.80
18	A"	161	151	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	1.354	0.407	0.000
O2	0.000	0.873	0.000
C3	-0.926	-0.088	0.000
O4	-0.715	-1.272	0.000
H5	1.972	1.304	0.000
H6	1.553	-0.194	0.890
H7	1.553	-0.194	-0.890
H8	-1.926	0.368	0.000

	C1	O2	C3	O4	H5	H6	H7	H8
C1		1.4316	2.3331	2.6644	1.0888	1.0923	1.0923	3.2804
O2	1.4316		1.3343	2.2610	2.0183	2.0837	2.0837	1.9913
C3	2.3331	1.3343		1.2034	3.2147	2.6362	2.6362	1.0991
O4	2.6644	2.2610	1.2034		3.7218	2.6639	2.6639	2.0395
H5	1.0888	2.0183	3.2147	3.7218		1.7918	1.7918	4.0088
H6	1.0923	2.0837	2.6362	2.6639	1.7918		1.7796	3.6351
H7	1.0923	2.0837	2.6362	2.6639	1.7918	1.7796		3.6351
H8	3.2804	1.9913	1.0991	2.0395	4.0088	3.6351	3.6351

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	114.985	O2	C1	H5	105.605
O2	C1	H6	110.580	O2	C1	H7	110.580
O2	C3	O4	125.909	O2	C3	H8	109.455
O4	C3	H8	124.636	H5	C1	H6	110.474
H5	C1	H7	110.474	H6	C1	H7	109.098

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

using model chemistry: MP3=FULL/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=FULL/6-31G*

States and conformations

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