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	hartrees
Energy at 0K	-228.453884
Energy at 298.15K	-228.458841
HF Energy	-227.803773
Nuclear repulsion energy	121.993257

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3248	3087	11.63
2	A'	3117	2963	44.18
3	A'	3109	2955	45.30
4	A'	1819	1729	243.09
5	A'	1504	1429	11.17
6	A'	1473	1400	2.23
7	A'	1407	1337	0.44
8	A'	1251	1189	276.05
9	A'	1197	1138	53.13
10	A'	974	925	23.59
11	A'	778	739	8.50
12	A'	315	299	12.85
13	A"	3210	3051	19.52
14	A"	1492	1418	7.61
15	A"	1186	1128	1.56
16	A"	1050	998	0.06
17	A"	348	330	23.89
18	A"	158	150	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	1.350	0.396	0.000
O2	0.000	0.889	0.000
C3	-0.929	-0.086	0.000
O4	-0.708	-1.276	0.000
H5	1.989	1.286	0.000
H6	1.541	-0.216	0.894
H7	1.541	-0.216	-0.894
H8	-1.933	0.382	0.000

	C1	O2	C3	O4	H5	H6	H7	H8
C1		1.4372	2.3296	2.6511	1.0958	1.0997	1.0997	3.2825
O2	1.4372		1.3469	2.2778	2.0282	2.0962	2.0962	1.9979
C3	2.3296	1.3469		1.2106	3.2247	2.6301	2.6301	1.1071
O4	2.6511	2.2778	1.2106		3.7196	2.6416	2.6416	2.0617
H5	1.0958	2.0282	3.2247	3.7196		1.8043	1.8043	4.0243
H6	1.0997	2.0962	2.6301	2.6416	1.8043		1.7872	3.6362
H7	1.0997	2.0962	2.6301	2.6416	1.8043	1.7872		3.6362
H8	3.2825	1.9979	1.1071	2.0617	4.0243	3.6362	3.6362

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	C3	113.555	O2	C1	H5	105.596
O2	C1	H6	110.736	O2	C1	H7	110.736
O2	C3	O4	125.817	O2	C3	H8	108.611
O4	C3	H8	125.572	H5	C1	H6	110.529
H5	C1	H7	110.529	H6	C1	H7	108.705

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

using model chemistry: MP2=FULL/cc-pVDZ

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/cc-pVDZ

States and conformations

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