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	hartrees
Energy at 0K	-169.421948
Energy at 298.15K	-169.425670
HF Energy	-168.887854
Nuclear repulsion energy	70.569423

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3189	3023	11.20
2	A'	3077	2917	4.16
3	A'	1710	1621	41.20
4	A'	1494	1417	16.57
5	A'	1435	1361	12.71
6	A'	1190	1129	14.77
7	A'	907	859	10.66
8	A'	599	567	2.23
9	A"	3172	3007	7.68
10	A"	1491	1414	10.33
11	A"	1015	962	5.51
12	A"	149	141	1.04

Atom	x (Å)	y (Å)	z (Å)
C1	-0.943	-0.571	0.000
N2	0.000	0.573	0.000
O3	1.152	0.233	0.000
H4	-0.410	-1.522	0.000
H5	-1.574	-0.466	0.883
H6	-1.574	-0.466	-0.883

	C1	N2	O3	H4	H5	H6
C1		1.4827	2.2437	1.0899	1.0907	1.0907
N2	1.4827		1.2010	2.1355	2.0828	2.0828
O3	2.2437	1.2010		2.3501	2.9497	2.9497
H4	1.0899	2.1355	2.3501		1.8029	1.8029
H5	1.0907	2.0828	2.9497	1.8029		1.7657
H6	1.0907	2.0828	2.9497	1.8029	1.7657

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	113.028	N2	C1	H4	111.296
N2	C1	H5	107.079	N2	C1	H6	107.079
H4	C1	H5	111.540	H4	C1	H6	111.540
H5	C1	H6	108.075

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: CCD/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: CCD/TZVP

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)