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	hartrees
Energy at 0K	-228.412215
Energy at 298.15K	-228.417175
HF Energy	-227.786810
Nuclear repulsion energy	122.194894

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3223	3050	14.04
2	A'	3128	2961	47.67
3	A'	3107	2941	25.68
4	A'	1883	1783	270.16
5	A'	1549	1466	9.28
6	A'	1517	1436	3.15
7	A'	1445	1368	2.92
8	A'	1291	1222	311.82
9	A'	1230	1164	36.30
10	A'	986	933	25.50
11	A'	795	752	10.00
12	A'	317	301	15.78
13	A"	3192	3021	19.57
14	A"	1541	1458	6.49
15	A"	1208	1144	1.69
16	A"	1065	1008	0.57
17	A"	342	324	31.54
18	A"	160	152	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	1.358	0.412	0.000
O2	0.000	0.873	0.000
C3	-0.928	-0.090	0.000
O4	-0.718	-1.278	0.000
H5	1.974	1.312	0.000
H6	1.561	-0.190	0.892
H7	1.561	-0.190	-0.892
H8	-1.929	0.368	0.000

	C1	O2	C3	O4	H5	H6	H7	H8
C1		1.4342	2.3401	2.6766	1.0910	1.0944	1.0944	3.2875
O2	1.4342		1.3374	2.2676	2.0218	2.0881	2.0881	1.9942
C3	2.3401	1.3374		1.2059	3.2225	2.6451	2.6451	1.1014
O4	2.6766	2.2676	1.2059		3.7355	2.6780	2.6780	2.0434
H5	1.0910	2.0218	3.2225	3.7355		1.7949	1.7949	4.0154
H6	1.0944	2.0881	2.6451	2.6780	1.7949		1.7832	3.6449
H7	1.0944	2.0881	2.6451	2.6780	1.7949	1.7832		3.6449
H8	3.2875	1.9942	1.1014	2.0434	4.0154	3.6449	3.6449

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	115.152	O2	C1	H5	105.582
O2	C1	H6	110.619	O2	C1	H7	110.619
O2	C3	O4	126.070	O2	C3	H8	109.333
O4	C3	H8	124.597	H5	C1	H6	110.438
H5	C1	H7	110.438	H6	C1	H7	109.114

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

using model chemistry: CCD/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: CCD/6-31G*

States and conformations

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