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	hartrees
Energy at 0K	-169.558132
Energy at 298.15K	-169.561860
HF Energy	-168.894019
Nuclear repulsion energy	70.854220

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3177	3012	8.79
2	A'	3083	2923	3.22
3	A'	1697	1609	48.10
4	A'	1493	1416	21.25
5	A'	1414	1341	13.63
6	A'	1181	1120	14.46
7	A'	905	858	10.66
8	A'	591	560	2.63
9	A"	3155	2991	4.55
10	A"	1497	1419	10.05
11	A"	1002	950	3.10
12	A"	157	149	0.87

Atom	x (Å)	y (Å)	z (Å)
C1	-0.941	-0.565	0.000
N2	0.000	0.569	0.000
O3	1.150	0.229	0.000
H4	-0.411	-1.511	0.000
H5	-1.571	-0.456	0.878
H6	-1.571	-0.456	-0.878

	C1	N2	O3	H4	H5	H6
C1		1.4731	2.2360	1.0844	1.0859	1.0859
N2	1.4731		1.1986	2.1201	2.0708	2.0708
O3	2.2360	1.1986		2.3375	2.9394	2.9394
H4	1.0844	2.1201	2.3375		1.7968	1.7968
H5	1.0859	2.0708	2.9394	1.7968		1.7554
H6	1.0859	2.0708	2.9394	1.7968	1.7554

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	113.233	N2	C1	H4	111.071
N2	C1	H5	107.068	N2	C1	H6	107.068
H4	C1	H5	111.764	H4	C1	H6	111.764
H5	C1	H6	107.854

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: CCSD=FULL/cc-pVTZ

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/cc-pVTZ

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)