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	hartrees
Energy at 0K	-169.346430
Energy at 298.15K	-169.350145
HF Energy	-168.843254
Nuclear repulsion energy	70.393444

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3207	3040	9.33
2	A'	3085	2924	3.36
3	A'	1766	1674	43.38
4	A'	1466	1390	15.80
5	A'	1391	1319	13.01
6	A'	1172	1111	15.77
7	A'	906	858	11.88
8	A'	596	565	2.37
9	A"	3188	3022	6.09
10	A"	1468	1391	9.15
11	A"	984	933	3.01
12	A"	153	145	1.20

Atom	x (Å)	y (Å)	z (Å)
C1	-0.941	-0.573	0.000
N2	0.000	0.578	0.000
O3	1.151	0.233	0.000
H4	-0.397	-1.532	0.000
H5	-1.582	-0.469	0.891
H6	-1.582	-0.469	-0.891

	C1	N2	O3	H4	H5	H6
C1		1.4867	2.2417	1.1015	1.1026	1.1026
N2	1.4867		1.2013	2.1464	2.0958	2.0958
O3	2.2417	1.2013		2.3475	2.9590	2.9590
H4	1.1015	2.1464	2.3475		1.8238	1.8238
H5	1.1026	2.0958	2.9590	1.8238		1.7815
H6	1.1026	2.0958	2.9590	1.8238	1.7815

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	112.586	N2	C1	H4	111.180
N2	C1	H5	107.143	N2	C1	H6	107.143
H4	C1	H5	111.680	H4	C1	H6	111.680
H5	C1	H6	107.772

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: MP3/cc-pVDZ

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/cc-pVDZ

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)