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	hartrees
Energy at 0K	-169.748842
Energy at 298.15K	-169.752461
HF Energy	-169.748842
Nuclear repulsion energy	70.540847

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3179	3028	9.93
2	A'	3057	2911	2.26
3	A'	1735	1652	89.43
4	A'	1464	1395	24.05
5	A'	1388	1322	30.66
6	A'	1176	1119	16.41
7	A'	895	853	19.95
8	A'	589	561	2.35
9	A"	3157	3006	2.37
10	A"	1459	1390	16.43
11	A"	974	928	2.40
12	A"	104	100	1.60

Atom	x (Å)	y (Å)	z (Å)
C1	-0.944	-0.566	0.000
N2	0.000	0.567	0.000
O3	1.156	0.232	0.000
H4	-0.423	-1.528	0.000
H5	-1.580	-0.446	0.883
H6	-1.580	-0.446	-0.883

	C1	N2	O3	H4	H5	H6
C1		1.4750	2.2470	1.0932	1.0944	1.0944
N2	1.4750		1.2038	2.1365	2.0743	2.0743
O3	2.2470	1.2038		2.3642	2.9541	2.9541
H4	1.0932	2.1365	2.3642		1.8127	1.8127
H5	1.0944	2.0743	2.9541	1.8127		1.7653
H6	1.0944	2.0743	2.9541	1.8127	1.7653

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	O3	113.645	N2	C1	H4	111.733
N2	C1	H5	106.728	N2	C1	H6	106.728
H4	C1	H5	111.911	H4	C1	H6	111.911
H5	C1	H6	107.509

All results from a given calculation for CH₃NO (nitrosomethane)

using model chemistry: wB97X-D/6-31+G**

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	-0.431
2	N	-0.030
3	O	-0.098
4	H	0.183
5	H	0.188
6	H	0.188

	x	y	z	Total
	-2.175	-1.494	0.000	2.639
CHELPG
AIM
ESP

	x	y	z
x	4.814	0.243	0.000
y	0.243	3.475	0.000
z	0.000	0.000	2.860

<r²>	41.466
(<r²>)^1/2	6.439

All results from a given calculation for CH3NO (nitrosomethane)

using model chemistry: wB97X-D/6-31+G**

States and conformations

All results from a given calculation for CH₃NO (nitrosomethane)