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	hartrees
Energy at 0K	-228.750795
Energy at 298.15K	-228.755793
HF Energy	-227.877589
Nuclear repulsion energy	123.219246

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3197	3031	12.83
2	A'	3124	2962	42.09
3	A'	3105	2943	26.65
4	A'	1855	1758	289.11
5	A'	1538	1459	10.46
6	A'	1504	1426	3.84
7	A'	1445	1370	1.56
8	A'	1284	1217	292.46
9	A'	1223	1160	45.36
10	A'	987	936	25.37
11	A'	797	756	8.56
12	A'	316	300	14.42
13	A"	3167	3003	17.70
14	A"	1525	1446	8.40
15	A"	1209	1146	1.80
16	A"	1094	1037	0.07
17	A"	343	326	26.90
18	A"	166	157	0.09

Atom	x (Å)	y (Å)	z (Å)
C1	1.345	0.401	0.000
O2	0.000	0.869	0.000
C3	-0.920	-0.086	0.000
O4	-0.711	-1.262	0.000
H5	1.967	1.285	0.000
H6	1.540	-0.198	0.883
H7	1.540	-0.198	-0.883
H8	-1.910	0.367	0.000

	C1	O2	C3	O4	H5	H6	H7	H8
C1		1.4243	2.3170	2.6445	1.0811	1.0844	1.0844	3.2557
O2	1.4243		1.3266	2.2473	2.0106	2.0713	2.0713	1.9756
C3	2.3170	1.3266		1.1948	3.1964	2.6161	2.6161	1.0889
O4	2.6445	2.2473	1.1948		3.6962	2.6416	2.6416	2.0231
H5	1.0811	2.0106	3.1964	3.6962		1.7781	1.7781	3.9850
H6	1.0844	2.0713	2.6161	2.6416	1.7781		1.7655	3.6060
H7	1.0844	2.0713	2.6161	2.6416	1.7781	1.7655		3.6060
H8	3.2557	1.9756	1.0889	2.0231	3.9850	3.6060	3.6060

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	114.714	O2	C1	H5	105.925
O2	C1	H6	110.571	O2	C1	H7	110.571
O2	C3	O4	125.991	O2	C3	H8	109.351
O4	C3	H8	124.658	H5	C1	H6	110.387
H5	C1	H7	110.387	H6	C1	H7	108.980

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

using model chemistry: CCSD=FULL/cc-pVTZ

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: CCSD=FULL/cc-pVTZ

States and conformations

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