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	hartrees
Energy at 0K	-185.845423
Energy at 298.15K	-185.848851
HF Energy	-185.845423
Nuclear repulsion energy	72.698851

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3760	3589	51.08
2	A	3521	3361	5.81
3	A	1663	1587	78.18
4	A	1630	1556	189.04
5	A	1261	1204	116.57
6	A	1143	1091	71.33
7	A	743	709	4.22
8	A	644	615	1.13
9	A	182	174	256.62

Atom	x (Å)	y (Å)	z (Å)
O1	-1.114	0.218	-0.000
N2	-0.145	-0.500	-0.000
N3	1.009	0.144	0.000
H4	1.018	1.157	-0.001
H5	1.846	-0.409	-0.002

	O1	N2	N3	H4	H5
O1		1.2058	2.1237	2.3288	3.0256
N2	1.2058		1.3216	2.0247	1.9935
N3	2.1237	1.3216		1.0136	1.0034
H4	2.3288	2.0247	1.0136		1.7721
H5	3.0256	1.9935	1.0034	1.7721

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	N2	N3	114.261		N2	N3	H4	119.653
N2	N3	H5	117.406		H4	N3	H5	122.941

All results from a given calculation for NH₂NO (Nitrosamide)

using model chemistry: mPW1PW91/6-311G*

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	O	-0.301
2	N	0.158
3	N	-0.570
4	H	0.342
5	H	0.371

	x	y	z	Total
	3.648	0.701	-0.005	3.715
CHELPG
AIM
ESP

	x	y	z
x	4.372	0.020	-0.000
y	0.020	2.590	-0.000
z	-0.000	-0.000	1.376

<r²>	35.652
(<r²>)^1/2	5.971

All results from a given calculation for NH2NO (Nitrosamide)

using model chemistry: mPW1PW91/6-311G*

States and conformations

All results from a given calculation for NH₂NO (Nitrosamide)