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	hartrees
Energy at 0K	-169.470160
Energy at 298.15K	-169.473899
HF Energy	-168.888489
Nuclear repulsion energy	70.783802

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3207	2994	10.73
2	A'	3093	2888	3.36
3	A'	1750	1634	47.80
4	A'	1497	1397	17.32
5	A'	1438	1342	14.45
6	A'	1197	1118	14.99
7	A'	915	854	11.17
8	A'	604	564	2.50
9	A"	3188	2976	6.50
10	A"	1492	1393	11.06
11	A"	1016	949	5.19
12	A"	156	145	1.09

Atom	x (Å)	y (Å)	z (Å)
C1	-0.939	-0.571	0.000
N2	0.000	0.572	0.000
O3	1.148	0.234	0.000
H4	-0.407	-1.520	0.000
H5	-1.571	-0.466	0.881
H6	-1.571	-0.466	-0.881

	C1	N2	O3	H4	H5	H6
C1		1.4788	2.2365	1.0879	1.0888	1.0888
N2	1.4788		1.1963	2.1308	2.0781	2.0781
O3	2.2365	1.1963		2.3440	2.9419	2.9419
H4	1.0879	2.1308	2.3440		1.8001	1.8001
H5	1.0888	2.0781	2.9419	1.8001		1.7611
H6	1.0888	2.0781	2.9419	1.8001	1.7611

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	113.027	N2	C1	H4	111.323
N2	C1	H5	107.085	N2	C1	H6	107.085
H4	C1	H5	111.583	H4	C1	H6	111.583
H5	C1	H6	107.943

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: MP3=FULL/TZVP

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: MP3=FULL/TZVP

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)