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	hartrees
Energy at 0K	-169.417257
Energy at 298.15K	-169.420995
HF Energy	-168.888406
Nuclear repulsion energy	70.747065

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3207	2999	10.97
2	A'	3094	2893	3.46
3	A'	1748	1635	48.03
4	A'	1496	1399	17.20
5	A'	1436	1343	14.01
6	A'	1196	1119	15.12
7	A'	913	854	11.20
8	A'	603	564	2.48
9	A"	3188	2981	6.77
10	A"	1491	1394	10.88
11	A"	1014	949	5.30
12	A"	156	146	1.08

Atom	x (Å)	y (Å)	z (Å)
C1	-0.939	-0.571	0.000
N2	0.000	0.572	0.000
O3	1.148	0.235	0.000
H4	-0.407	-1.521	0.000
H5	-1.571	-0.466	0.881
H6	-1.571	-0.466	-0.881

	C1	N2	O3	H4	H5	H6
C1		1.4799	2.2375	1.0886	1.0896	1.0896
N2	1.4799		1.1967	2.1323	2.0795	2.0795
O3	2.2375	1.1967		2.3449	2.9432	2.9432
H4	1.0886	2.1323	2.3449		1.8014	1.8014
H5	1.0896	2.0795	2.9432	1.8014		1.7625
H6	1.0896	2.0795	2.9432	1.8014	1.7625

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	112.998	N2	C1	H4	111.317
N2	C1	H5	107.075	N2	C1	H6	107.075
H4	C1	H5	111.588	H4	C1	H6	111.588
H5	C1	H6	107.959

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: MP3/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/TZVP

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)