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	hartrees
Energy at 0K	-166.842810
Energy at 298.15K	-166.846329
HF Energy	-166.638326
Nuclear repulsion energy	66.394636

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3549	3095	1.13
2	A'	3352	2923	0.40
3	A'	1689	1473	3.65
4	A'	1549	1350	0.52
5	A'	1341	1170	3.66
6	A'	1174	1023	13.66
7	A'	944	823	10.91
8	A'	532	464	0.07
9	A"	3553	3098	0.30
10	A"	1688	1472	2.62
11	A"	1046	912	0.91
12	A"	132	115	1.22

Atom	x (Å)	y (Å)	z (Å)
C1	-1.011	-0.564	0.000
N2	0.000	0.646	0.000
O3	1.229	0.168	0.000
H4	-0.477	-1.533	0.000
H5	-1.646	-0.477	0.900
H6	-1.646	-0.477	-0.900

	C1	N2	O3	H4	H5	H6
C1		1.5767	2.3560	1.1065	1.1052	1.1052
N2	1.5767		1.3188	2.2310	2.1864	2.1864
O3	2.3560	1.3188		2.4089	3.0806	3.0806
H4	1.1065	2.2310	2.4089		1.8147	1.8147
H5	1.1052	2.1864	3.0806	1.8147		1.8005
H6	1.1052	2.1864	3.0806	1.8147	1.8005

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	108.590	N2	C1	H4	111.295
N2	C1	H5	107.928	N2	C1	H6	107.928
H4	C1	H5	110.264	H4	C1	H6	110.264
H5	C1	H6	109.083

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: MP2/STO-3G

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: MP2/STO-3G

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)