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	hartrees
Energy at 0K	-169.481300
Energy at 298.15K	-169.485008
HF Energy	-168.887295
Nuclear repulsion energy	70.425187

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3183	3016	10.96
2	A'	3070	2909	4.19
3	A'	1665	1578	50.42
4	A'	1490	1412	18.51
5	A'	1429	1354	13.31
6	A'	1184	1122	15.84
7	A'	892	845	11.61
8	A'	593	562	2.09
9	A"	3165	2999	7.32
10	A"	1489	1411	10.30
11	A"	1011	958	5.49
12	A"	147	139	0.97

Atom	x (Å)	y (Å)	z (Å)
C1	-0.946	-0.571	0.000
N2	0.000	0.574	0.000
O3	1.156	0.231	0.000
H4	-0.414	-1.521	0.000
H5	-1.577	-0.463	0.883
H6	-1.577	-0.463	-0.883

	C1	N2	O3	H4	H5	H6
C1		1.4851	2.2495	1.0894	1.0903	1.0903
N2	1.4851		1.2053	2.1358	2.0833	2.0833
O3	2.2495	1.2053		2.3526	2.9540	2.9540
H4	1.0894	2.1358	2.3526		1.8033	1.8033
H5	1.0903	2.0833	2.9540	1.8033		1.7657
H6	1.0903	2.0833	2.9540	1.8033	1.7657

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	113.051	N2	C1	H4	111.186
N2	C1	H5	106.981	N2	C1	H6	106.981
H4	C1	H5	111.653	H4	C1	H6	111.653
H5	C1	H6	108.142

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: CCSD=FULL/TZVP

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=FULL/TZVP

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)