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	hartrees
Energy at 0K	-244.620490
Energy at 298.15K
HF Energy	-243.770548
Nuclear repulsion energy	126.027301

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	-1.312	0.000
N2	-0.010	0.173	0.000
H3	1.043	-1.616	0.000
H4	-0.493	-1.650	0.902
H5	-0.493	-1.650	-0.902
O6	0.001	0.724	-1.076
O7	0.001	0.724	1.076

	C1	N2	H3	H4	H5	O6	O7
C1		1.4854	1.0860	1.0825	1.0825	2.3027	2.3027
N2	1.4854		2.0765	2.0908	2.0908	1.2088	1.2088
H3	1.0860	2.0765		1.7819	1.7819	2.7787	2.7787
H4	1.0825	2.0908	1.7819		1.8045	3.1292	2.4305
H5	1.0825	2.0908	1.7819	1.8045		2.4305	3.1292
O6	2.3027	1.2088	2.7787	3.1292	2.4305		2.1525
O7	2.3027	1.2088	2.7787	2.4305	3.1292	2.1525

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	117.075	C1	N2	O7	117.075
N2	C1	H3	106.678	N2	C1	H4	107.989
N2	C1	H5	107.989	H3	C1	H4	110.506
H3	C1	H5	110.506	H4	C1	H5	112.912
O6	N2	O7	125.830

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

using model chemistry: CCD/Def2TZVPP

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/Def2TZVPP

States and conformations

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