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	hartrees
Energy at 0K	-169.297691
Energy at 298.15K	-169.301374
HF Energy	-168.822909
Nuclear repulsion energy	69.771701

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3227	3043	7.57
2	A'	3103	2926	1.66
3	A'	1551	1462	8.30
4	A'	1510	1424	18.34
5	A'	1429	1348	25.16
6	A'	1184	1117	11.51
7	A'	908	857	13.08
8	A'	584	551	2.03
9	A"	3207	3024	3.72
10	A"	1519	1432	10.15
11	A"	1008	951	1.97
12	A"	142	134	1.88

Atom	x (Å)	y (Å)	z (Å)
C1	-0.961	-0.545	0.000
N2	0.000	0.582	0.000
O3	1.174	0.194	0.000
H4	-0.440	-1.505	0.000
H5	-1.592	-0.426	0.885
H6	-1.592	-0.426	-0.885

	C1	N2	O3	H4	H5	H6
C1		1.4810	2.2595	1.0923	1.0936	1.0936
N2	1.4810		1.2361	2.1325	2.0820	2.0820
O3	2.2595	1.2361		2.3436	2.9700	2.9700
H4	1.0923	2.1325	2.3436		1.8099	1.8099
H5	1.0936	2.0820	2.9700	1.8099		1.7702
H6	1.0936	2.0820	2.9700	1.8099	1.7702

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	112.214	N2	C1	H4	111.028
N2	C1	H5	106.970	N2	C1	H6	106.970
H4	C1	H5	111.778	H4	C1	H6	111.778
H5	C1	H6	108.062

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: MP2/6-31G*

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: MP2/6-31G*

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)