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	hartrees
Energy at 0K	-244.353703
Energy at 298.15K
HF Energy	-243.663065
Nuclear repulsion energy	125.026009

Atom	x (Å)	y (Å)	z (Å)
C1	0.002	-1.317	0.000
N2	-0.013	0.170	0.000
H3	1.044	-1.623	0.000
H4	-0.495	-1.653	0.902
H5	-0.495	-1.653	-0.902
O6	0.002	0.728	-1.090
O7	0.002	0.728	1.090

	C1	N2	H3	H4	H5	O6	O7
C1		1.4874	1.0865	1.0832	1.0832	2.3169	2.3169
N2	1.4874		2.0820	2.0903	2.0903	1.2239	1.2239
H3	1.0865	2.0820		1.7847	1.7847	2.7929	2.7929
H4	1.0832	2.0903	1.7847		1.8038	3.1432	2.4390
H5	1.0832	2.0903	1.7847	1.8038		2.4390	3.1432
O6	2.3169	1.2239	2.7929	3.1432	2.4390		2.1790
O7	2.3169	1.2239	2.7929	2.4390	3.1432	2.1790

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	117.084	C1	N2	O7	117.084
N2	C1	H3	106.939	N2	C1	H4	107.770
N2	C1	H5	107.770	H3	C1	H4	110.683
H3	C1	H5	110.683	H4	C1	H5	112.738
O6	N2	O7	125.792

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

using model chemistry: CCD/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 CH3NO2 (Methane, nitro-)

using model chemistry: CCD/6-31G**

States and conformations

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