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	hartrees
Energy at 0K	-261.043258
Energy at 298.15K	-261.048235
HF Energy	-261.043258
Nuclear repulsion energy	126.530376

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3511	3366	25.87
2	A'	1610	1543	64.03
3	A'	1390	1332	216.71
4	A'	1009	967	17.33
5	A'	797	764	159.08
6	A'	718	689	95.44
7	A'	622	596	94.32
8	A"	3658	3507	40.90
9	A"	1699	1629	261.11
10	A"	1233	1182	44.32
11	A"	552	529	3.29
12	A"	418	401	27.09

Atom	x (Å)	y (Å)	z (Å)
N1	0.081	-1.251	0.000
N2	0.004	0.144	0.000
O3	0.004	0.685	1.102
O4	0.004	0.685	-1.102
H5	-0.325	-1.608	-0.859
H6	-0.325	-1.608	0.859

	N1	N2	O3	O4	H5	H6
N1		1.3976	2.2298	2.2298	1.0151	1.0151
N2	1.3976		1.2280	1.2280	1.9793	1.9793
O3	2.2298	1.2280		2.2046	3.0360	2.3302
O4	2.2298	1.2280	2.2046		2.3302	3.0360
H5	1.0151	1.9793	3.0360	2.3302		1.7180
H6	1.0151	1.9793	2.3302	3.0360	1.7180

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O3	116.113	N1	N2	O4	116.113
N2	N1	H5	109.227	N2	N1	H6	109.227
O3	N2	O4	127.688	H5	N1	H6	115.611

All results from a given calculation for NH₂NO₂ (nitramide)

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

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	-0.405
2	N	0.569
3	O	-0.391
4	O	-0.391
5	H	0.309
6	H	0.309

	x	y	z	Total
	-1.312	-3.519	0.000	3.756
CHELPG
AIM
ESP

	x	y	z
x	1.636	0.088	0.000
y	0.088	4.080	0.000
z	0.000	0.000	4.367

<r²>	58.622
(<r²>)^1/2	7.657

All results from a given calculation for NH2NO2 (nitramide)

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

States and conformations

Conformer 1 (C2V)

Conformer 2 (CS)

All results from a given calculation for NH₂NO₂ (nitramide)