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	hartrees
Energy at 0K	-261.111694
Energy at 298.15K	-261.116709
HF Energy	-261.111694
Nuclear repulsion energy	126.879243

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3516	3386	20.26
2	A'	1660	1599	60.02
3	A'	1374	1323	230.81
4	A'	1011	974	22.30
5	A'	825	795	208.04
6	A'	734	707	67.74
7	A'	634	611	76.10
8	A"	3645	3511	27.46
9	A"	1686	1624	291.72
10	A"	1258	1212	59.05
11	A"	560	539	2.86
12	A"	422	407	27.87

Atom	x (Å)	y (Å)	z (Å)
N1	0.089	-1.253	0.000
N2	0.001	0.147	0.000
O3	0.001	0.685	1.096
O4	0.001	0.685	-1.096
H5	-0.323	-1.612	-0.853
H6	-0.323	-1.612	0.853

	N1	N2	O3	O4	H5	H6
N1		1.4032	2.2282	2.2282	1.0132	1.0132
N2	1.4032		1.2205	1.2205	1.9818	1.9818
O3	2.2282	1.2205		2.1912	3.0296	2.3323
O4	2.2282	1.2205	2.1912		2.3323	3.0296
H5	1.0132	1.9818	3.0296	2.3323		1.7063
H6	1.0132	1.9818	2.3323	3.0296	1.7063

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O3	116.089	N1	N2	O4	116.089
N2	N1	H5	109.128	N2	N1	H6	109.128
O3	N2	O4	127.711	H5	N1	H6	114.713

All results from a given calculation for NH₂NO₂ (nitramide)

using model chemistry: TPSSh/6-311G*

States and conformations

Conformer 1 (C2V)

Conformer 2 (CS)

	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	-0.540
2	N	0.392
3	O	-0.287
4	O	-0.287
5	H	0.360
6	H	0.360

	x	y	z	Total
	-1.333	-3.525	0.000	3.768
CHELPG
AIM
ESP

	x	y	z
x	1.686	0.056	0.000
y	0.056	4.109	0.000
z	0.000	0.000	4.507

<r²>	58.611
(<r²>)^1/2	7.656

All results from a given calculation for NH2NO2 (nitramide)

using model chemistry: TPSSh/6-311G*

States and conformations

Conformer 1 (C2V)

Conformer 2 (CS)

All results from a given calculation for NH₂NO₂ (nitramide)