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	hartrees
Energy at 0K	-169.431487
Energy at 298.15K	-169.435205
HF Energy	-168.845954
Nuclear repulsion energy	70.584635

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3213	3043	6.49
2	A'	3095	2931	1.91
3	A'	1731	1640	35.78
4	A'	1495	1416	16.05
5	A'	1423	1348	13.01
6	A'	1187	1124	11.52
7	A'	907	859	10.40
8	A'	594	563	2.51
9	A"	3190	3022	3.57
10	A"	1494	1415	8.49
11	A"	1005	952	1.91
12	A"	152	144	1.19

Atom	x (Å)	y (Å)	z (Å)
C1	-0.942	-0.570	0.000
N2	0.000	0.575	0.000
O3	1.151	0.230	0.000
H4	-0.404	-1.519	0.000
H5	-1.576	-0.466	0.883
H6	-1.576	-0.466	-0.883

	C1	N2	O3	H4	H5	H6
C1		1.4824	2.2400	1.0903	1.0919	1.0919
N2	1.4824		1.2013	2.1325	2.0850	2.0850
O3	2.2400	1.2013		2.3403	2.9494	2.9494
H4	1.0903	2.1325	2.3403		1.8052	1.8052
H5	1.0919	2.0850	2.9494	1.8052		1.7651
H6	1.0919	2.0850	2.9494	1.8052	1.7651

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	112.743	N2	C1	H4	111.056
N2	C1	H5	107.208	N2	C1	H6	107.208
H4	C1	H5	111.639	H4	C1	H6	111.639
H5	C1	H6	107.863

All results from a given calculation for CH₃NO (nitrosomethane)

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

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)