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	hartrees
Energy at 0K	-169.649982
Energy at 298.15K
HF Energy	-168.905749
Nuclear repulsion energy	70.617815

Atom	x (Å)	y (Å)	z (Å)
C1	-0.948	-0.550	0.000
N2	0.000	0.568	0.000
O3	1.160	0.210	0.000
H4	-0.432	-1.504	0.000
H5	-1.577	-0.427	0.877
H6	-1.577	-0.427	-0.877

	C1	N2	O3	H4	H5	H6
C1		1.4657	2.2408	1.0848	1.0859	1.0859
N2	1.4657		1.2134	2.1160	2.0606	2.0606
O3	2.2408	1.2134		2.3389	2.9434	2.9434
H4	1.0848	2.1160	2.3389		1.7995	1.7995
H5	1.0859	2.0606	2.9434	1.7995		1.7541
H6	1.0859	2.0606	2.9434	1.7995	1.7541

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	113.185	N2	C1	H4	111.246
N2	C1	H5	106.778	N2	C1	H6	106.778
H4	C1	H5	111.996	H4	C1	H6	111.996
H5	C1	H6	107.745

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: MP2=FULL/aug-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 CH3NO (nitrosomethane)

using model chemistry: MP2=FULL/aug-cc-pVQZ

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)