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	hartrees
Energy at 0K	-185.777590
Energy at 298.15K	-185.780916
HF Energy	-185.777590
Nuclear repulsion energy	72.493599

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3750	3581	60.10
2	A	3521	3361	12.41
3	A	1673	1597	123.86
4	A	1613	1540	128.11
5	A	1258	1201	114.43
6	A	1144	1092	51.02
7	A	738	704	5.52
8	A	628	599	1.87
9	A	127	122	263.93

Atom	x (Å)	y (Å)	z (Å)
O1	-1.114	0.220	0.003
N2	-0.143	-0.506	0.001
N3	1.009	0.146	-0.020
H4	1.004	1.160	0.041
H5	1.849	-0.401	0.065

	O1	N2	N3	H4	H5
O1		1.2130	2.1249	2.3180	3.0288
N2	1.2130		1.3242	2.0236	1.9963
N3	2.1249	1.3242		1.0158	1.0062
H4	2.3180	2.0236	1.0158		1.7751
H5	3.0288	1.9963	1.0062	1.7751

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	N2	N3	113.675		N2	N3	H4	119.125
N2	N3	H5	117.228		H4	N3	H5	122.789

All results from a given calculation for NH₂NO (Nitrosamide)

using model chemistry: B1B95/6-31G**

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	-0.362
2	N	0.173
3	N	-0.524
4	H	0.345
5	H	0.368

	x	y	z	Total
	3.598	0.742	0.233	3.681
CHELPG
AIM
ESP

	x	y	z
x	4.193	-0.012	0.003
y	-0.012	2.417	0.004
z	0.003	0.004	1.264

<r²>	35.556
(<r²>)^1/2	5.963

All results from a given calculation for NH2NO (Nitrosamide)

using model chemistry: B1B95/6-31G**

States and conformations

All results from a given calculation for NH₂NO (Nitrosamide)