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	hartrees
Energy at 0K	-244.767145
Energy at 298.15K
HF Energy	-243.758423
Nuclear repulsion energy	124.533973

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	-1.319	0.000
N2	-0.010	0.169	0.000
H3	1.044	-1.625	0.000
H4	-0.496	-1.656	0.903
H5	-0.496	-1.656	-0.903
O6	0.001	0.729	-1.097
O7	0.001	0.729	1.097

	C1	N2	H3	H4	H5	O6	O7
C1		1.4881	1.0867	1.0839	1.0839	2.3235	2.3235
N2	1.4881		2.0803	2.0928	2.0928	1.2315	1.2315
H3	1.0867	2.0803		1.7848	1.7848	2.7985	2.7985
H4	1.0839	2.0928	1.7848		1.8055	3.1514	2.4437
H5	1.0839	2.0928	1.7848	1.8055		2.4437	3.1514
O6	2.3235	1.2315	2.7985	3.1514	2.4437		2.1931
O7	2.3235	1.2315	2.7985	2.4437	3.1514	2.1931

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	117.062	C1	N2	O7	117.062
N2	C1	H3	106.754	N2	C1	H4	107.885
N2	C1	H5	107.885	H3	C1	H4	110.630
H3	C1	H5	110.630	H4	C1	H5	112.793
O6	N2	O7	125.855

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

using model chemistry: MP4=FULL/aug-cc-pVTZ

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: MP4=FULL/aug-cc-pVTZ

States and conformations

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