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	hartrees
Energy at 0K	-185.662177
Energy at 298.15K	-185.665722
HF Energy	-185.662177
Nuclear repulsion energy	72.470640

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3759	3591	77.45
2	A	3519	3361	18.97
3	A	1654	1580	157.98
4	A	1603	1531	159.39
5	A	1253	1197	143.33
6	A	1152	1100	55.22
7	A	725	693	3.68
8	A	636	608	1.51
9	A	275	263	247.09

Atom	x (Å)	y (Å)	z (Å)
O1	-1.119	0.218	-0.000
N2	-0.141	-0.502	-0.000
N3	1.010	0.146	0.000
H4	1.018	1.163	-0.000
H5	1.849	-0.411	-0.000

	O1	N2	N3	H4	H5
O1		1.2142	2.1299	2.3360	3.0333
N2	1.2142		1.3204	2.0278	1.9913
N3	2.1299	1.3204		1.0167	1.0069
H4	2.3360	2.0278	1.0167		1.7799
H5	3.0333	1.9913	1.0069	1.7799

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	N2	N3	114.286		N2	N3	H4	119.809
N2	N3	H5	117.016		H4	N3	H5	123.175

All results from a given calculation for NH₂NO (Nitrosamide)

using model chemistry: PBE1PBE/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	O	-0.187
2	N	-0.048
3	N	-0.436
4	H	0.328
5	H	0.344

	x	y	z	Total
	3.841	0.805	-0.002	3.925
CHELPG
AIM
ESP

	x	y	z
x	4.891	-0.012	0.000
y	-0.012	3.050	0.000
z	0.000	0.000	2.168

<r²>	36.045
(<r²>)^1/2	6.004

All results from a given calculation for NH2NO (Nitrosamide)

using model chemistry: PBE1PBE/6-31+G**

States and conformations

All results from a given calculation for NH₂NO (Nitrosamide)