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	hartrees
Energy at 0K	-169.608235
Energy at 298.15K
HF Energy	-168.895492
Nuclear repulsion energy	70.491918

Atom	x (Å)	y (Å)	z (Å)
C1	-0.948	-0.561	0.000
N2	0.000	0.571	0.000
O3	1.157	0.222	0.000
H4	-0.419	-1.513	0.000
H5	-1.577	-0.448	0.882
H6	-1.577	-0.448	-0.882

	C1	N2	O3	H4	H5	H6
C1		1.4769	2.2461	1.0883	1.0897	1.0897
N2	1.4769		1.2089	2.1257	2.0745	2.0745
O3	2.2461	1.2089		2.3439	2.9502	2.9502
H4	1.0883	2.1257	2.3439		1.8038	1.8038
H5	1.0897	2.0745	2.9502	1.8038		1.7646
H6	1.0897	2.0745	2.9502	1.8038	1.7646

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	113.124	N2	C1	H4	111.014
N2	C1	H5	106.889	N2	C1	H6	106.889
H4	C1	H5	111.826	H4	C1	H6	111.826
H5	C1	H6	108.135

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: CCSD(T)=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 CH3NO (nitrosomethane)

using model chemistry: CCSD(T)=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)