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	hartrees
Energy at 0K	-169.782830
Energy at 298.15K	-169.786458
HF Energy	-169.782830
Nuclear repulsion energy	70.732256

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3158	3021	11.32
2	A'	3042	2910	2.96
3	A'	1737	1661	82.39
4	A'	1457	1394	23.28
5	A'	1379	1319	29.21
6	A'	1169	1118	18.53
7	A'	877	839	20.46
8	A'	590	564	2.10
9	A"	3139	3003	4.43
10	A"	1456	1392	14.82
11	A"	973	930	2.48
12	A"	110	105	1.64

Atom	x (Å)	y (Å)	z (Å)
C1	-0.939	-0.573	0.000
N2	0.000	0.567	0.000
O3	1.150	0.239	0.000
H4	-0.410	-1.529	0.000
H5	-1.575	-0.459	0.882
H6	-1.575	-0.459	-0.882

	C1	N2	O3	H4	H5	H6
C1		1.4777	2.2414	1.0923	1.0933	1.0933
N2	1.4777		1.1954	2.1355	2.0766	2.0766
O3	2.2414	1.1954		2.3572	2.9478	2.9478
H4	1.0923	2.1355	2.3572		1.8112	1.8112
H5	1.0933	2.0766	2.9478	1.8112		1.7639
H6	1.0933	2.0766	2.9478	1.8112	1.7639

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	113.549	N2	C1	H4	111.514
N2	C1	H5	106.798	N2	C1	H6	106.798
H4	C1	H5	111.935	H4	C1	H6	111.935
H5	C1	H6	107.553

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: wB97X-D/6-311G**

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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Number	Element	Mulliken
1	C	-0.241
2	N	0.023
3	O	-0.198
4	H	0.127
5	H	0.145
6	H	0.145

	x	y	z	Total
	-2.020	-1.363	0.000	2.437
CHELPG
AIM
ESP

	x	y	z
x	4.340	0.300	0.000
y	0.300	3.035	0.000
z	0.000	0.000	2.524

<r²>	41.177
(<r²>)^1/2	6.417

All results from a given calculation for CH3NO (nitrosomethane)

using model chemistry: wB97X-D/6-311G**

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)