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	hartrees
Energy at 0K	-185.868426
Energy at 298.15K	-185.871847
HF Energy	-185.868426
Nuclear repulsion energy	71.876510

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3647	3547	46.21
2	A	3392	3298	2.31
3	A	1598	1554	113.72
4	A	1547	1505	106.31
5	A	1209	1176	95.94
6	A	1075	1045	63.49
7	A	722	703	5.31
8	A	600	583	0.70
9	A	207	202	205.47

Atom	x (Å)	y (Å)	z (Å)
O1	-1.122	0.223	0.004
N2	-0.148	-0.510	0.002
N3	1.020	0.147	-0.033
H4	1.016	1.168	0.069
H5	1.858	-0.408	0.114

	O1	N2	N3	H4	H5
O1		1.2194	2.1442	2.3385	3.0483
N2	1.2194		1.3403	2.0428	2.0113
N3	2.1442	1.3403		1.0263	1.0155
H4	2.3385	2.0428	1.0263		1.7873
H5	3.0483	2.0113	1.0155	1.7873

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	N2	N3	113.708		N2	N3	H4	118.755
N2	N3	H5	116.577		H4	N3	H5	122.175

All results from a given calculation for NH₂NO (Nitrosamide)

using model chemistry: TPSSh/cc-pVDZ

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	-0.258
2	N	0.041
3	N	-0.009
4	H	0.099
5	H	0.128

	x	y	z	Total
	3.400	0.654	0.341	3.479
CHELPG
AIM
ESP

	x	y	z
x	4.428	0.027	0.024
y	0.027	2.583	0.008
z	0.024	0.008	1.258

<r²>	36.040
(<r²>)^1/2	6.003

All results from a given calculation for NH2NO (Nitrosamide)

using model chemistry: TPSSh/cc-pVDZ

States and conformations

All results from a given calculation for NH₂NO (Nitrosamide)