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	hartrees
Energy at 0K	-169.345374
Energy at 298.15K	-169.349048
HF Energy	-168.823861
Nuclear repulsion energy	69.742441

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3175	3082
2	A'	3057	2968
3	A'	1596	1549
4	A'	1499	1455
5	A'	1415	1374
6	A'	1171	1136
7	A'	880	854
8	A'	580	563
9	A"	3147	3055
10	A"	1499	1455
11	A"	996	967
12	A"	145	140

Atom	x (Å)	y (Å)	z (Å)
C1	-0.959	-0.559	0.000
N2	0.000	0.583	0.000
O3	1.170	0.209	0.000
H4	-0.426	-1.515	0.000
H5	-1.592	-0.445	0.889
H6	-1.592	-0.445	-0.889

	C1	N2	O3	H4	H5	H6
C1		1.4908	2.2630	1.0951	1.0971	1.0971
N2	1.4908		1.2284	2.1411	2.0932	2.0932
O3	2.2630	1.2284		2.3495	2.9744	2.9744
H4	1.0951	2.1411	2.3495		1.8153	1.8153
H5	1.0971	2.0932	2.9744	1.8153		1.7771
H6	1.0971	2.0932	2.9744	1.8153	1.7771

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	112.293	N2	C1	H4	110.859
N2	C1	H5	106.978	N2	C1	H6	106.978
H4	C1	H5	111.801	H4	C1	H6	111.801
H5	C1	H6	108.175

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: CCSD(T)=FULL/6-31G*

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/6-31G*

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)