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	hartrees
Energy at 0K	-244.693862
Energy at 298.15K
HF Energy	-243.778068
Nuclear repulsion energy	125.953960

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	-1.312	0.000
N2	-0.010	0.172	0.000
H3	1.043	-1.615	0.000
H4	-0.493	-1.649	0.902
H5	-0.493	-1.649	-0.902
O6	0.001	0.724	-1.077
O7	0.001	0.724	1.077

	C1	N2	H3	H4	H5	O6	O7
C1		1.4846	1.0854	1.0819	1.0819	2.3037	2.3037
N2	1.4846		2.0746	2.0890	2.0890	1.2105	1.2105
H3	1.0854	2.0746		1.7812	1.7812	2.7784	2.7784
H4	1.0819	2.0890	1.7812		1.8042	3.1294	2.4301
H5	1.0819	2.0890	1.7812	1.8042		2.4301	3.1294
O6	2.3037	1.2105	2.7784	3.1294	2.4301		2.1547
O7	2.3037	1.2105	2.7784	2.4301	3.1294	2.1547

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	117.112	C1	N2	O7	117.112
N2	C1	H3	106.625	N2	C1	H4	107.938
N2	C1	H5	107.938	H3	C1	H4	110.542
H3	C1	H5	110.542	H4	C1	H5	112.983
O6	N2	O7	125.755

All results from a given calculation for CH₃NO₂ (Methane, nitro-)

using model chemistry: CCSD/cc-pVQZ

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 CH3NO2 (Methane, nitro-)

using model chemistry: CCSD/cc-pVQZ

States and conformations

All results from a given calculation for CH₃NO₂ (Methane, nitro-)