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	hartrees
Energy at 0K	-168.982275
Energy at 298.15K	-168.985977
HF Energy	-168.982275
Nuclear repulsion energy	70.964874

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3061	3031	10.32
2	A'	2937	2908	1.85
3	A'	1647	1631	80.33
4	A'	1364	1351	28.31
5	A'	1277	1264	53.13
6	A'	1114	1104	20.23
7	A'	863	855	34.01
8	A'	570	564	2.06
9	A"	3032	3002	0.38
10	A"	1358	1345	15.00
11	A"	910	902	0.79
12	A"	186	184	2.96

Atom	x (Å)	y (Å)	z (Å)
C1	-0.936	-0.550	0.000
N2	0.000	0.558	0.000
O3	1.152	0.218	0.000
H4	-0.422	-1.523	0.000
H5	-1.587	-0.416	0.879
H6	-1.587	-0.416	-0.879

	C1	N2	O3	H4	H5	H6
C1		1.4501	2.2251	1.1005	1.1022	1.1022
N2	1.4501		1.2009	2.1227	2.0594	2.0594
O3	2.2251	1.2009		2.3472	2.9461	2.9461
H4	1.1005	2.1227	2.3472		1.8317	1.8317
H5	1.1022	2.0594	2.9461	1.8317		1.7588
H6	1.1022	2.0594	2.9461	1.8317	1.7588

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	113.812	N2	C1	H4	111.929
N2	C1	H5	106.792	N2	C1	H6	106.792
H4	C1	H5	112.517	H4	C1	H6	112.517
H5	C1	H6	105.851

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: SVWN/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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Number	Element	Mulliken
1	C	-0.202
2	N	0.031
3	O	-0.147
4	H	0.082
5	H	0.118
6	H	0.118

	x	y	z	Total
	-2.098	-1.348	0.000	2.494
CHELPG
AIM
ESP

	x	y	z
x	4.898	0.413	0.000
y	0.413	3.648	0.000
z	0.000	0.000	2.924

<r²>	40.955
(<r²>)^1/2	6.400

All results from a given calculation for CH3NO (nitrosomethane)

using model chemistry: SVWN/cc-pVTZ

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)