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	hartrees
Energy at 0K	-244.478821
Energy at 298.15K
HF Energy	-243.699798
Nuclear repulsion energy	123.763874

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	-1.332	0.000
N2	-0.010	0.171	0.000
H3	1.059	-1.637	0.000
H4	-0.502	-1.669	0.917
H5	-0.502	-1.669	-0.917
O6	0.001	0.735	-1.099
O7	0.001	0.735	1.099

	C1	N2	H3	H4	H5	O6	O7
C1		1.5035	1.1017	1.0983	1.0983	2.3415	2.3415
N2	1.5035		2.1015	2.1138	2.1138	1.2355	1.2355
H3	1.1017	2.1015		1.8107	1.8107	2.8212	2.8212
H4	1.0983	2.1138	1.8107		1.8330	3.1774	2.4630
H5	1.0983	2.1138	1.8107	1.8330		2.4630	3.1774
O6	2.3415	1.2355	2.8212	3.1774	2.4630		2.1984
O7	2.3415	1.2355	2.8212	2.4630	3.1774	2.1984

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	117.153	C1	N2	O7	117.153
N2	C1	H3	106.519	N2	C1	H4	107.653
N2	C1	H5	107.653	H3	C1	H4	110.783
H3	C1	H5	110.783	H4	C1	H5	113.128
O6	N2	O7	125.671

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

using model chemistry: CCSD(T)/aug-cc-pVDZ

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)/aug-cc-pVDZ

States and conformations

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