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	hartrees
Energy at 0K	-169.342654
Energy at 298.15K	-169.346385
HF Energy	-168.832032
Nuclear repulsion energy	70.482758

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3264	3264	10.03
2	A'	3141	3141	2.67
3	A'	1754	1754	36.03
4	A'	1530	1530	14.43
5	A'	1450	1450	11.87
6	A'	1203	1203	12.17
7	A'	925	925	9.83
8	A'	599	599	2.89
9	A"	3240	3240	6.88
10	A"	1530	1530	8.16
11	A"	1018	1018	2.93
12	A"	154	154	1.32

Atom	x (Å)	y (Å)	z (Å)
C1	-0.946	-0.561	0.000
N2	0.000	0.577	0.000
O3	1.156	0.217	0.000
H4	-0.416	-1.508	0.000
H5	-1.576	-0.453	0.880
H6	-1.576	-0.453	-0.880

	C1	N2	O3	H4	H5	H6
C1		1.4799	2.2411	1.0856	1.0872	1.0872
N2	1.4799		1.2104	2.1264	2.0783	2.0783
O3	2.2411	1.2104		2.3338	2.9469	2.9469
H4	1.0856	2.1264	2.3338		1.7977	1.7977
H5	1.0872	2.0783	2.9469	1.7977		1.7594
H6	1.0872	2.0783	2.9469	1.7977	1.7594

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	112.433	N2	C1	H4	111.030
N2	C1	H5	107.114	N2	C1	H6	107.114
H4	C1	H5	111.662	H4	C1	H6	111.662
H5	C1	H6	108.025

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: MP3=FULL/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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All results from a given calculation for CH3NO (nitrosomethane)

using model chemistry: MP3=FULL/6-31G**

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)