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	hartrees
Energy at 0K	-184.909740
Energy at 298.15K	-184.913222
HF Energy	-184.909740
Nuclear repulsion energy	73.977876

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3951	3574	81.47
2	A	3752	3394	40.82
3	A	1832	1657	192.35
4	A	1754	1587	154.21
5	A	1362	1232	160.84
6	A	1237	1119	146.38
7	A	739	669	5.45
8	A	702	635	2.95
9	A	187	169	275.41

Atom	x (Å)	y (Å)	z (Å)
O1	-1.096	0.213	0.003
N2	-0.148	-0.484	0.003
N3	0.998	0.139	-0.029
H4	1.011	1.131	0.063
H5	1.807	-0.417	0.095

	O1	N2	N3	H4	H5
O1		1.1762	2.0960	2.2994	2.9717
N2	1.1762		1.3057	1.9892	1.9585
N3	2.0960	1.3057		0.9963	0.9890
H4	2.2994	1.9892	0.9963		1.7410
H5	2.9717	1.9585	0.9890	1.7410

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	N2	N3	115.143		N2	N3	H4	118.952
N2	N3	H5	116.501		H4	N3	H5	122.551

All results from a given calculation for NH₂NO (Nitrosamide)

using model chemistry: HF/daug-cc-pVTZ

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	-0.557
2	N	-0.439
3	N	0.239
4	H	0.352
5	H	0.404

	x	y	z	Total
	3.581	0.611	0.341	3.648
CHELPG
AIM
ESP

	x	y	z
x	4.570	-0.113	-0.018
y	-0.113	2.995	0.003
z	-0.018	0.003	2.400

<r²>	35.053
(<r²>)^1/2	5.921

All results from a given calculation for NH2NO (Nitrosamide)

using model chemistry: HF/daug-cc-pVTZ

States and conformations

All results from a given calculation for NH₂NO (Nitrosamide)