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	hartrees
Energy at 0K	-169.750994
Energy at 298.15K	-169.754706
HF Energy	-169.750994
Nuclear repulsion energy	70.560249

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3187	3033	10.33
2	A'	3061	2913	1.48
3	A'	1736	1652	73.05
4	A'	1468	1396	21.54
5	A'	1383	1316	23.72
6	A'	1169	1113	15.38
7	A'	873	831	22.68
8	A'	580	552	2.05
9	A"	3157	3004	3.13
10	A"	1467	1396	11.89
11	A"	970	923	0.99
12	A"	170	162	2.34

Atom	x (Å)	y (Å)	z (Å)
C1	-0.942	-0.567	0.000
N2	0.000	0.571	0.000
O3	1.154	0.230	0.000
H4	-0.418	-1.524	0.000
H5	-1.581	-0.453	0.880
H6	-1.581	-0.453	-0.880

	C1	N2	O3	H4	H5	H6
C1		1.4768	2.2425	1.0917	1.0938	1.0938
N2	1.4768		1.2035	2.1359	2.0791	2.0791
O3	2.2425	1.2035		2.3551	2.9536	2.9536
H4	1.0917	2.1359	2.3551		1.8102	1.8102
H5	1.0938	2.0791	2.9536	1.8102		1.7604
H6	1.0938	2.0791	2.9536	1.8102	1.7604

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	113.185	N2	C1	H4	111.646
N2	C1	H5	107.013	N2	C1	H6	107.013
H4	C1	H5	111.849	H4	C1	H6	111.849
H5	C1	H6	107.171

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: mPW1PW91/6-31G**

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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Number	Element	Mulliken
1	C	-0.290
2	N	0.052
3	O	-0.259
4	H	0.155
5	H	0.171
6	H	0.171

	x	y	z	Total
	-1.991	-1.352	0.000	2.407
CHELPG
AIM
ESP

	x	y	z
x	4.174	0.307	0.000
y	0.307	2.822	0.000
z	0.000	0.000	2.416

<r²>	41.094
(<r²>)^1/2	6.410

All results from a given calculation for CH3NO (nitrosomethane)

using model chemistry: mPW1PW91/6-31G**

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)