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	hartrees
Energy at 0K	-131.742124
Energy at 298.15K
HF Energy	-131.742124
Nuclear repulsion energy	39.018086

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3760	3637	32.18	66.73	0.20	0.34
2	A'	3395	3284	4.83	130.04	0.08	0.15
3	A'	1642	1588	12.14	5.24	0.51	0.68
4	A'	1385	1340	20.44	3.08	0.19	0.33
5	A'	1148	1111	119.56	1.40	0.14	0.25
6	A'	914	884	12.36	11.50	0.23	0.38
7	A"	3476	3362	0.16	59.73	0.75	0.86
8	A"	1317	1274	0.03	2.97	0.75	0.86
9	A"	391	378	158.57	0.29	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
N1	-0.012	0.711	0.000
O2	-0.012	-0.741	0.000
H3	-0.959	-0.942	0.000
H4	0.567	0.944	0.813
H5	0.567	0.944	-0.813

	N1	O2	H3	H4	H5
N1		1.4519	1.9058	1.0247	1.0247
O2	1.4519		0.9684	1.9582	1.9582
H3	1.9058	0.9684		2.5589	2.5589
H4	1.0247	1.9582	2.5589		1.6264
H5	1.0247	1.9582	2.5589	1.6264

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
N1	O2	H3	102.031		O2	N1	H4	103.140
O2	N1	H5	103.140		H4	N1	H5	105.050

All results from a given calculation for NH₂OH (hydroxylamine)

using model chemistry: TPSSh/aug-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	N	0.092
2	O	-0.441
3	H	0.164
4	H	0.092
5	H	0.092

	x	y	z	Total
	0.138	0.562	0.000	0.579
CHELPG
AIM
ESP

	x	y	z
x	2.719	0.274	0.000
y	0.274	3.274	0.000
z	0.000	0.000	2.513

<r²>	21.052
(<r²>)^1/2	4.588

All results from a given calculation for NH2OH (hydroxylamine)

using model chemistry: TPSSh/aug-cc-pVDZ

States and conformations

All results from a given calculation for NH₂OH (hydroxylamine)