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	hartrees
Energy at 0K	-169.727177
Energy at 298.15K	-169.730862
HF Energy	-169.727177
Nuclear repulsion energy	70.645746

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3177	3025	6.89
2	A'	3057	2911	1.39
3	A'	1773	1688	91.58
4	A'	1464	1394	25.75
5	A'	1387	1321	22.72
6	A'	1170	1114	15.91
7	A'	891	848	16.84
8	A'	592	564	2.85
9	A"	3153	3002	1.57
10	A"	1461	1391	14.93
11	A"	977	930	2.64
12	A"	144	137	1.43

Atom	x (Å)	y (Å)	z (Å)
C1	-0.941	-0.571	0.000
N2	0.000	0.569	0.000
O3	1.151	0.235	0.000
H4	-0.408	-1.525	0.000
H5	-1.576	-0.457	0.883
H6	-1.576	-0.457	-0.883

	C1	N2	O3	H4	H5	H6
C1		1.4788	2.2423	1.0926	1.0939	1.0939
N2	1.4788		1.1987	2.1338	2.0779	2.0779
O3	2.2423	1.1987		2.3514	2.9491	2.9491
H4	1.0926	2.1338	2.3514		1.8125	1.8125
H5	1.0939	2.0779	2.9491	1.8125		1.7667
H6	1.0939	2.0779	2.9491	1.8125	1.7667

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	113.330	N2	C1	H4	111.273
N2	C1	H5	106.791	N2	C1	H6	106.791
H4	C1	H5	111.984	H4	C1	H6	111.984
H5	C1	H6	107.716

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: M06-2X/6-31+G**

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	-0.433
2	N	-0.034
3	O	-0.094
4	H	0.184
5	H	0.189
6	H	0.189

	x	y	z	Total
	-2.090	-1.463	0.000	2.551
CHELPG
AIM
ESP

	x	y	z
x	4.748	0.254	0.000
y	0.254	3.440	0.000
z	0.000	0.000	2.844

<r²>	41.442
(<r²>)^1/2	6.438

All results from a given calculation for CH3NO (nitrosomethane)

using model chemistry: M06-2X/6-31+G**

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)