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	hartrees
Energy at 0K	-169.436799
Energy at 298.15K	-169.440504
HF Energy	-168.845390
Nuclear repulsion energy	70.429738

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3206	3031	6.85
2	A'	3088	2920	2.12
3	A'	1692	1600	42.92
4	A'	1490	1409	17.45
5	A'	1416	1339	12.43
6	A'	1180	1116	12.32
7	A'	893	844	11.35
8	A'	588	556	2.35
9	A"	3182	3009	3.89
10	A"	1491	1410	8.29
11	A"	1000	946	1.91
12	A"	150	142	1.15

Atom	x (Å)	y (Å)	z (Å)
C1	-0.945	-0.570	0.000
N2	0.000	0.577	0.000
O3	1.154	0.229	0.000
H4	-0.407	-1.518	0.000
H5	-1.579	-0.464	0.883
H6	-1.579	-0.464	-0.883

	C1	N2	O3	H4	H5	H6
C1		1.4856	2.2455	1.0905	1.0921	1.0921
N2	1.4856		1.2053	2.1342	2.0870	2.0870
O3	2.2455	1.2053		2.3428	2.9542	2.9542
H4	1.0905	2.1342	2.3428		1.8066	1.8066
H5	1.0921	2.0870	2.9542	1.8066		1.7662
H6	1.0921	2.0870	2.9542	1.8066	1.7662

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	112.713	N2	C1	H4	110.955
N2	C1	H5	107.134	N2	C1	H6	107.134
H4	C1	H5	111.729	H4	C1	H6	111.729
H5	C1	H6	107.922

All results from a given calculation for CH₃NO (nitrosomethane)

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

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)