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	hartrees
Energy at 0K	-168.204171
Energy at 298.15K	-168.207798
HF Energy	-167.860421
Nuclear repulsion energy	68.337855

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3187	3187	8.34
2	A'	3084	3084	1.50
3	A'	1563	1563	12.81
4	A'	1459	1459	1.22
5	A'	1389	1389	22.47
6	A'	1153	1153	12.81
7	A'	807	807	11.26
8	A'	558	558	2.55
9	A"	3162	3162	7.49
10	A"	1560	1560	10.50
11	A"	1015	1015	1.31
12	A"	135	135	1.81

Atom	x (Å)	y (Å)	z (Å)
C1	-0.984	-0.566	0.000
N2	0.000	0.609	0.000
O3	1.195	0.196	0.000
H4	-0.431	-1.508	0.000
H5	-1.610	-0.462	0.891
H6	-1.610	-0.462	-0.891

	C1	N2	O3	H4	H5	H6
C1		1.5329	2.3081	1.0921	1.0942	1.0942
N2	1.5329		1.2642	2.1605	2.1293	2.1293
O3	2.3081	1.2642		2.3548	3.0154	3.0154
H4	1.0921	2.1605	2.3548		1.8106	1.8106
H5	1.0942	2.1293	3.0154	1.8106		1.7827
H6	1.0942	2.1293	3.0154	1.8106	1.7827

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	110.849	N2	C1	H4	109.640
N2	C1	H5	107.111	N2	C1	H6	107.111
H4	C1	H5	111.827	H4	C1	H6	111.827
H5	C1	H6	109.106

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: MP3=FULL/3-21G*

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/3-21G*

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)