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	hartrees
Energy at 0K	-244.341982
Energy at 298.15K	-244.346744
HF Energy	-243.662186
Nuclear repulsion energy	122.973068

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3221	3041	8.07
2	A'	3099	2927	13.23
3	A'	1709	1614	121.07
4	A'	1541	1455	7.97
5	A'	1489	1406	3.20
6	A'	1221	1153	0.53
7	A'	1070	1010	162.61
8	A'	900	850	84.08
9	A'	743	702	62.30
10	A'	376	355	3.43
11	A"	3182	3005	19.58
12	A"	1531	1446	7.78
13	A"	1186	1120	1.44
14	A"	358	338	3.32
15	A"	224	212	0.28

Atom	x (Å)	y (Å)	z (Å)
C1	1.325	0.314	0.000
O2	0.000	0.878	0.000
H3	1.986	1.182	0.000
H4	1.490	-0.297	0.893
H5	1.490	-0.297	-0.893
N6	-1.028	-0.018	0.000
O7	-0.716	-1.171	0.000

	C1	O2	H3	H4	H5	N6	O7
C1		1.4403	1.0903	1.0945	1.0945	2.3762	2.5242
O2	1.4403		2.0088	2.0973	2.0973	1.3631	2.1707
H3	1.0903	2.0088		1.7971	1.7971	3.2432	3.5824
H4	1.0945	2.0973	1.7971		1.7859	2.6860	2.5351
H5	1.0945	2.0973	1.7971	1.7859		2.6860	2.5351
N6	2.3762	1.3631	3.2432	2.6860	2.6860		1.1953
O7	2.5242	2.1707	3.5824	2.5351	2.5351	1.1953

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	N6	115.875	O2	C1	H3	104.226
O2	C1	H4	110.928	O2	C1	H5	110.928
O2	N6	O7	115.937	H3	C1	H4	110.675
H3	C1	H5	110.675	H4	C1	H5	109.338

All results from a given calculation for CH₃ONO (Methyl nitrite)

using model chemistry: CCSD/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 CH3ONO (Methyl nitrite)

using model chemistry: CCSD/6-31G*

States and conformations

All results from a given calculation for CH₃ONO (Methyl nitrite)