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	hartrees
Energy at 0K	-169.452971
Energy at 298.15K	-169.456703
HF Energy	-168.846647
Nuclear repulsion energy	70.855263

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3240	3240	5.90
2	A'	3121	3121	1.37
3	A'	1765	1765	40.00
4	A'	1507	1507	17.84
5	A'	1429	1429	14.85
6	A'	1197	1197	11.33
7	A'	922	922	10.94
8	A'	601	601	2.86
9	A"	3217	3217	2.57
10	A"	1505	1505	9.35
11	A"	1016	1016	1.59
12	A"	154	154	1.30

Atom	x (Å)	y (Å)	z (Å)
C1	-0.938	-0.567	0.000
N2	0.000	0.572	0.000
O3	1.147	0.230	0.000
H4	-0.404	-1.514	0.000
H5	-1.571	-0.463	0.879
H6	-1.571	-0.463	-0.879

	C1	N2	O3	H4	H5	H6
C1		1.4755	2.2314	1.0872	1.0887	1.0887
N2	1.4755		1.1967	2.1250	2.0769	2.0769
O3	2.2314	1.1967		2.3332	2.9394	2.9394
H4	1.0872	2.1250	2.3332		1.8003	1.8003
H5	1.0887	2.0769	2.9394	1.8003		1.7582
H6	1.0887	2.0769	2.9394	1.8003	1.7582

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	112.820	N2	C1	H4	111.126
N2	C1	H5	107.218	N2	C1	H6	107.218
H4	C1	H5	111.667	H4	C1	H6	111.667
H5	C1	H6	107.707

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: MP3=FULL/6-31G(2df,p)

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(2df,p)

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)