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	hartrees
Energy at 0K	-169.704177
Energy at 298.15K
HF Energy	-169.513880
Nuclear repulsion energy	70.313208

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3162	3162	11.40
2	A'	3048	3048	3.09
3	A'	1615	1615	54.58
4	A'	1467	1467	25.61
5	A'	1387	1387	25.84
6	A'	1162	1162	19.45
7	A'	859	859	20.81
8	A'	581	581	1.47
9	A"	3141	3141	5.04
10	A"	1471	1471	12.44
11	A"	984	984	3.52
12	A"	153	153	1.45

Atom	x (Å)	y (Å)	z (Å)
C1	-0.949	-0.569	0.000
N2	0.000	0.573	0.000
O3	1.159	0.229	0.000
H4	-0.417	-1.522	0.000
H5	-1.582	-0.454	0.883
H6	-1.582	-0.454	-0.883

	C1	N2	O3	H4	H5	H6
C1		1.4848	2.2540	1.0910	1.0922	1.0922
N2	1.4848		1.2088	2.1359	2.0817	2.0817
O3	2.2540	1.2088		2.3559	2.9590	2.9590
H4	1.0910	2.1359	2.3559		1.8103	1.8103
H5	1.0922	2.0817	2.9590	1.8103		1.7653
H6	1.0922	2.0817	2.9590	1.8103	1.7653

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	113.205	N2	C1	H4	111.112
N2	C1	H5	106.771	N2	C1	H6	106.771
H4	C1	H5	112.032	H4	C1	H6	112.032
H5	C1	H6	107.822

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: B2PLYP=FULLultrafine/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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All results from a given calculation for CH3NO (nitrosomethane)

using model chemistry: B2PLYP=FULLultrafine/6-311G**

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)