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	hartrees
Energy at 0K	-169.765772
Energy at 298.15K	-169.769430
HF Energy	-169.765772
Nuclear repulsion energy	70.837739

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3159	3159	6.07
2	A'	3040	3040	1.00
3	A'	1773	1773	84.32
4	A'	1461	1461	25.09
5	A'	1381	1381	23.70
6	A'	1169	1169	17.58
7	A'	879	879	16.60
8	A'	596	596	2.77
9	A"	3131	3131	1.73
10	A"	1459	1459	14.31
11	A"	975	975	2.42
12	A"	124	124	1.43

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	-0.396	-1.523	0.000
H5	-1.571	-0.465	0.882
H6	-1.571	-0.465	-0.882

	C1	N2	O3	H4	H5	H6
C1		1.4803	2.2364	1.0905	1.0919	1.0919
N2	1.4803		1.1918	2.1299	2.0781	2.0781
O3	2.2364	1.1918		2.3414	2.9417	2.9417
H4	1.0905	2.1299	2.3414		1.8101	1.8101
H5	1.0919	2.0781	2.9417	1.8101		1.7643
H6	1.0919	2.0781	2.9417	1.8101	1.7643

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	113.191	N2	C1	H4	110.982
N2	C1	H5	106.811	N2	C1	H6	106.811
H4	C1	H5	112.079	H4	C1	H6	112.079
H5	C1	H6	107.779

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	-0.294
2	N	0.029
3	O	-0.202
4	H	0.145
5	H	0.161
6	H	0.161

	x	y	z	Total
	-1.993	-1.357	0.000	2.411
CHELPG
AIM
ESP

	x	y	z
x	4.282	0.301	0.000
y	0.301	2.980	0.000
z	0.000	0.000	2.482

<r²>	41.145
(<r²>)^1/2	6.414

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)