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	hartrees
Energy at 0K	-169.762490
Energy at 298.15K	-169.766126
HF Energy	-169.762490
Nuclear repulsion energy	70.838707

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3169	3169	7.51
2	A'	3051	3051	1.41
3	A'	1774	1774	83.21
4	A'	1477	1477	26.34
5	A'	1393	1393	24.39
6	A'	1176	1176	17.15
7	A'	882	882	16.31
8	A'	598	598	2.65
9	A"	3140	3140	2.93
10	A"	1472	1472	14.16
11	A"	984	984	2.44
12	A"	112	112	1.50

Atom	x (Å)	y (Å)	z (Å)
C1	-0.937	-0.576	0.000
N2	0.000	0.570	0.000
O3	1.145	0.240	0.000
H4	-0.397	-1.523	0.000
H5	-1.571	-0.467	0.882
H6	-1.571	-0.467	-0.882

	C1	N2	O3	H4	H5	H6
C1		1.4801	2.2361	1.0903	1.0919	1.0919
N2	1.4801		1.1919	2.1303	2.0792	2.0792
O3	2.2361	1.1919		2.3421	2.9423	2.9423
H4	1.0903	2.1303	2.3421		1.8088	1.8088
H5	1.0919	2.0792	2.9423	1.8088		1.7641
H6	1.0919	2.0792	2.9423	1.8088	1.7641

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	113.184	N2	C1	H4	111.040
N2	C1	H5	106.908	N2	C1	H6	106.908
H4	C1	H5	111.968	H4	C1	H6	111.968
H5	C1	H6	107.768

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: M06-2X/6-311G*

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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Number	Element	Mulliken
1	C	-0.585
2	N	0.050
3	O	-0.202
4	H	0.234
5	H	0.252
6	H	0.252

	x	y	z	Total
	-1.990	-1.353	0.000	2.407
CHELPG
AIM
ESP

	x	y	z
x	4.243	0.287	0.000
y	0.287	2.940	0.000
z	0.000	0.000	2.450

<r²>	41.169
(<r²>)^1/2	6.416

All results from a given calculation for CH3NO (nitrosomethane)

using model chemistry: M06-2X/6-311G*

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)