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	hartrees
Energy at 0K	-169.438436
Energy at 298.15K	-169.442130
HF Energy	-168.845106
Nuclear repulsion energy	70.346053

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3202	3034	7.12
2	A'	3084	2922	2.19
3	A'	1674	1586	47.90
4	A'	1488	1410	18.28
5	A'	1412	1338	12.71
6	A'	1177	1115	13.17
7	A'	883	836	12.72
8	A'	585	554	2.12
9	A"	3179	3012	4.07
10	A"	1490	1412	8.17
11	A"	996	944	1.93
12	A"	147	140	1.12

Atom	x (Å)	y (Å)	z (Å)
C1	-0.946	-0.571	0.000
N2	0.000	0.577	0.000
O3	1.156	0.229	0.000
H4	-0.407	-1.519	0.000
H5	-1.580	-0.465	0.884
H6	-1.580	-0.465	-0.884

	C1	N2	O3	H4	H5	H6
C1		1.4878	2.2488	1.0907	1.0924	1.0924
N2	1.4878		1.2069	2.1357	2.0887	2.0887
O3	2.2488	1.2069		2.3450	2.9571	2.9571
H4	1.0907	2.1357	2.3450		1.8074	1.8074
H5	1.0924	2.0887	2.9571	1.8074		1.7670
H6	1.0924	2.0887	2.9571	1.8074	1.7670

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	112.719	N2	C1	H4	110.905
N2	C1	H5	107.104	N2	C1	H6	107.104
H4	C1	H5	111.766	H4	C1	H6	111.766
H5	C1	H6	107.954

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: QCISD/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: QCISD/6-31G(2df,p)

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)