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	hartrees
Energy at 0K	-169.363307
Energy at 298.15K	-169.366994
HF Energy	-168.842149
Nuclear repulsion energy	70.115047

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3191	3191	9.55
2	A'	3069	3069	4.28
3	A'	1689	1689	45.85
4	A'	1463	1463	16.30
5	A'	1385	1385	11.41
6	A'	1161	1161	16.15
7	A'	884	884	12.25
8	A'	587	587	1.99
9	A"	3173	3173	6.74
10	A"	1467	1467	8.48
11	A"	981	981	3.21
12	A"	144	144	1.09

Atom	x (Å)	y (Å)	z (Å)
C1	-0.947	-0.573	0.000
N2	0.000	0.580	0.000
O3	1.157	0.230	0.000
H4	-0.403	-1.531	0.000
H5	-1.587	-0.466	0.892
H6	-1.587	-0.466	-0.892

	C1	N2	O3	H4	H5	H6
C1		1.4914	2.2522	1.1019	1.1029	1.1029
N2	1.4914		1.2088	2.1487	2.0991	2.0991
O3	2.2522	1.2088		2.3530	2.9681	2.9681
H4	1.1019	2.1487	2.3530		1.8250	1.8250
H5	1.1029	2.0991	2.9681	1.8250		1.7842
H6	1.1029	2.0991	2.9681	1.8250	1.7842

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	112.620	N2	C1	H4	111.008
N2	C1	H5	107.069	N2	C1	H6	107.069
H4	C1	H5	111.737	H4	C1	H6	111.737
H5	C1	H6	107.976

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: CCSD=FULL/cc-pVDZ

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-pVDZ

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)