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	hartrees
Energy at 0K	-242.801282
Energy at 298.15K	-242.795649
HF Energy	-242.266925
Nuclear repulsion energy	116.998958

Atom	x (Å)	y (Å)	z (Å)
C1	1.343	0.321	0.000
O2	0.000	0.983	0.000
H3	2.045	1.158	0.000
H4	1.472	-0.305	0.892
H5	1.472	-0.305	-0.892
N6	-1.108	-0.046	0.000
O7	-0.661	-1.252	0.000

	C1	O2	H3	H4	H5	N6	O7
C1		1.4975	1.0927	1.0974	1.0974	2.4785	2.5474
O2	1.4975		2.0523	2.1498	2.1498	1.5123	2.3307
H3	1.0927	2.0523		1.8073	1.8073	3.3751	3.6235
H4	1.0974	2.1498	1.8073		1.7842	2.7420	2.4980
H5	1.0974	2.1498	1.8073	1.7842		2.7420	2.4980
N6	2.4785	1.5123	3.3751	2.7420	2.7420		1.2862
O7	2.5474	2.3307	3.6235	2.4980	2.4980	1.2862

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O2	N6	110.867	O2	C1	H3	103.706
O2	C1	H4	110.942	O2	C1	H5	110.942
O2	N6	O7	112.532	H3	C1	H4	111.222
H3	C1	H5	111.222	H4	C1	H5	108.767

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

using model chemistry: MP4/3-21G

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: MP4/3-21G

States and conformations

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