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	hartrees
Energy at 0K	-169.649837
Energy at 298.15K	-169.653542
HF Energy	-169.479414
Nuclear repulsion energy	70.103600

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3192	3036	9.71
2	A'	3071	2921	2.21
3	A'	1602	1524	56.69
4	A'	1481	1408	30.10
5	A'	1402	1334	26.52
6	A'	1171	1114	16.96
7	A'	880	836	19.65
8	A'	580	551	1.82
9	A"	3167	3012	2.68
10	A"	1481	1409	14.00
11	A"	990	942	3.44
12	A"	161	153	1.36

Atom	x (Å)	y (Å)	z (Å)
C1	-0.955	-0.559	0.000
N2	0.000	0.572	0.000
O3	1.168	0.218	0.000
H4	-0.437	-1.518	0.000
H5	-1.587	-0.436	0.882
H6	-1.587	-0.436	-0.882

	C1	N2	O3	H4	H5	H6
C1		1.4799	2.2604	1.0905	1.0921	1.0921
N2	1.4799		1.2201	2.1351	2.0764	2.0764
O3	2.2604	1.2201		2.3641	2.9656	2.9656
H4	1.0905	2.1351	2.3641		1.8093	1.8093
H5	1.0921	2.0764	2.9656	1.8093		1.7637
H6	1.0921	2.0764	2.9656	1.8093	1.7637

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	113.343	N2	C1	H4	111.433
N2	C1	H5	106.702	N2	C1	H6	106.702
H4	C1	H5	111.993	H4	C1	H6	111.993
H5	C1	H6	107.702

All results from a given calculation for CH₃NO (nitrosomethane)

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

using model chemistry: B2PLYP=FULL/6-31+G**

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)