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	hartrees
Energy at 0K	-244.861237
Energy at 298.15K
HF Energy	-243.776299
Nuclear repulsion energy	125.411110

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	-1.315	0.000
N2	-0.010	0.170	0.000
H3	1.041	-1.619	0.000
H4	-0.493	-1.651	0.902
H5	-0.493	-1.651	-0.902
O6	0.001	0.726	-1.085
O7	0.001	0.726	1.085

	C1	N2	H3	H4	H5	O6	O7
C1		1.4853	1.0844	1.0813	1.0813	2.3114	2.3114
N2	1.4853		2.0754	2.0886	2.0886	1.2189	1.2189
H3	1.0844	2.0754		1.7801	1.7801	2.7857	2.7857
H4	1.0813	2.0886	1.7801		1.8030	3.1366	2.4343
H5	1.0813	2.0886	1.7801	1.8030		2.4343	3.1366
O6	2.3114	1.2189	2.7857	3.1366	2.4343		2.1697
O7	2.3114	1.2189	2.7857	2.4343	3.1366	2.1697

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	117.120	C1	N2	O7	117.120
N2	C1	H3	106.690	N2	C1	H4	107.892
N2	C1	H5	107.892	H3	C1	H4	110.562
H3	C1	H5	110.562	H4	C1	H5	112.970
O6	N2	O7	125.741

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

using model chemistry: CCSD(T)=FULL/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(T)=FULL/cc-pVQZ

States and conformations

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