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	hartrees
Energy at 0K	-185.722508
Energy at 298.15K	-185.726323
HF Energy	-185.722508
Nuclear repulsion energy	71.288651

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3787	3585	66.32
2	A	3542	3353	15.78
3	A	1659	1571	65.19
4	A	1516	1435	119.54
5	A	1235	1169	125.45
6	A	1127	1067	64.69
7	A	741	701	68.74
8	A	617	584	1.88
9	A	581	550	318.12

Atom	x (Å)	y (Å)	z (Å)
O1	-1.142	0.222	0.000
N2	-0.135	-0.513	-0.000
N3	1.026	0.150	-0.000
H4	1.036	1.164	-0.000
H5	1.866	-0.399	0.001

	O1	N2	N3	H4	H5
O1		1.2467	2.1691	2.3730	3.0712
N2	1.2467		1.3371	2.0456	2.0039
N3	2.1691	1.3371		1.0141	1.0037
H4	2.3730	2.0456	1.0141		1.7703
H5	3.0712	2.0039	1.0037	1.7703

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	N2	N3	114.128		N2	N3	H4	120.309
N2	N3	H5	117.046		H4	N3	H5	122.645

All results from a given calculation for NH₂NO (Nitrosamide)

using model chemistry: mPW1PW91/6-31G

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	-0.374
2	N	0.188
3	N	-0.541
4	H	0.352
5	H	0.375

	x	y	z	Total
	4.018	0.892	0.002	4.116
CHELPG
AIM
ESP

	x	y	z
x	4.267	-0.062	0.000
y	-0.062	2.263	-0.000
z	0.000	-0.000	0.998

<r²>	36.747
(<r²>)^1/2	6.062

All results from a given calculation for NH2NO (Nitrosamide)

using model chemistry: mPW1PW91/6-31G

States and conformations

All results from a given calculation for NH₂NO (Nitrosamide)