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	hartrees
Energy at 0K	-244.862888
Energy at 298.15K
HF Energy	-243.776031
Nuclear repulsion energy	125.327733

Atom	x (Å)	y (Å)	z (Å)
C1	0.001	-1.316	0.000
N2	-0.010	0.170	0.000
H3	1.042	-1.620	0.000
H4	-0.493	-1.651	0.902
H5	-0.493	-1.651	-0.902
O6	0.001	0.726	-1.086
O7	0.001	0.726	1.086

	C1	N2	H3	H4	H5	O6	O7
C1		1.4860	1.0845	1.0814	1.0814	2.3127	2.3127
N2	1.4860		2.0760	2.0893	2.0893	1.2200	1.2200
H3	1.0845	2.0760		1.7803	1.7803	2.7869	2.7869
H4	1.0814	2.0893	1.7803		1.8032	3.1381	2.4355
H5	1.0814	2.0893	1.7803	1.8032		2.4355	3.1381
O6	2.3127	1.2200	2.7869	3.1381	2.4355		2.1717
O7	2.3127	1.2200	2.7869	2.4355	3.1381	2.1717

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O6	117.111	C1	N2	O7	117.111
N2	C1	H3	106.686	N2	C1	H4	107.897
N2	C1	H5	107.897	H3	C1	H4	110.561
H3	C1	H5	110.561	H4	C1	H5	112.967
O6	N2	O7	125.759

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

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

States and conformations

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