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	hartrees
Energy at 0K	-168.845756
Energy at 298.15K	-168.849579
HF Energy	-168.845756
Nuclear repulsion energy	71.653766

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3307	3003	12.98
2	A'	3190	2896	6.29
3	A'	1977	1795	93.38
4	A'	1562	1418	20.63
5	A'	1510	1371	6.85
6	A'	1271	1154	16.16
7	A'	993	901	3.39
8	A'	634	576	5.21
9	A"	3283	2981	10.68
10	A"	1563	1419	10.94
11	A"	1077	978	3.90
12	A"	173	157	0.83

Atom	x (Å)	y (Å)	z (Å)
C1	-0.923	-0.576	0.000
N2	0.000	0.559	0.000
O3	1.130	0.253	0.000
H4	-0.385	-1.523	0.000
H5	-1.558	-0.476	0.881
H6	-1.558	-0.476	-0.881

	C1	N2	O3	H4	H5	H6
C1		1.4629	2.2141	1.0893	1.0906	1.0906
N2	1.4629		1.1704	2.1170	2.0673	2.0673
O3	2.2141	1.1704		2.3340	2.9207	2.9207
H4	1.0893	2.1170	2.3340		1.8025	1.8025
H5	1.0906	2.0673	2.9207	1.8025		1.7629
H6	1.0906	2.0673	2.9207	1.8025	1.7629

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	113.985	N2	C1	H4	111.241
N2	C1	H5	107.210	N2	C1	H6	107.210
H4	C1	H5	111.555	H4	C1	H6	111.555
H5	C1	H6	107.843

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: HF/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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Number	Element	Mulliken
1	C	0.063
2	N	-0.000
3	O	-0.225
4	H	0.044
5	H	0.059
6	H	0.059

	x	y	z	Total
	-2.134	-1.376	0.000	2.539
CHELPG
AIM
ESP

	x	y	z
x	4.007	0.199	0.000
y	0.199	2.636	0.000
z	0.000	0.000	2.318

<r²>	40.544
(<r²>)^1/2	6.367

All results from a given calculation for CH3NO (nitrosomethane)

using model chemistry: HF/cc-pVDZ

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)