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	hartrees
Energy at 0K	-261.141531
Energy at 298.15K	-261.146511
HF Energy	-261.141531
Nuclear repulsion energy	126.820202

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3505	3378	31.56
2	A'	1614	1556	59.36
3	A'	1351	1302	246.98
4	A'	995	959	23.38
5	A'	798	769	129.32
6	A'	719	693	80.71
7	A'	612	589	131.45
8	A"	3641	3509	45.68
9	A"	1642	1582	333.33
10	A"	1227	1183	60.38
11	A"	555	535	2.31
12	A"	416	401	24.20

Atom	x (Å)	y (Å)	z (Å)
N1	0.085	-1.252	0.000
N2	0.001	0.145	0.000
O3	0.001	0.687	1.096
O4	0.001	0.687	-1.096
H5	-0.305	-1.621	-0.859
H6	-0.305	-1.621	0.859

	N1	N2	O3	O4	H5	H6
N1		1.3995	2.2284	2.2284	1.0134	1.0134
N2	1.3995		1.2223	1.2223	1.9876	1.9876
O3	2.2284	1.2223		2.1914	3.0398	2.3397
O4	2.2284	1.2223	2.1914		2.3397	3.0398
H5	1.0134	1.9876	3.0398	2.3397		1.7188
H6	1.0134	1.9876	2.3397	3.0398	1.7188

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O3	116.253	N1	N2	O4	116.253
N2	N1	H5	109.889	N2	N1	H6	109.889
O3	N2	O4	127.390	H5	N1	H6	115.995

All results from a given calculation for NH₂NO₂ (nitramide)

using model chemistry: TPSSh/TZVP

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	-0.297
2	N	0.206
3	O	-0.200
4	O	-0.200
5	H	0.245
6	H	0.245

	x	y	z	Total
	-1.210	-3.697	0.000	3.890
CHELPG
AIM
ESP

	x	y	z
x	2.164	0.017	0.000
y	0.017	4.529	0.000
z	0.000	0.000	4.935

<r²>	58.840
(<r²>)^1/2	7.671

All results from a given calculation for NH2NO2 (nitramide)

using model chemistry: TPSSh/TZVP

States and conformations

Conformer 1 (C2V)

Conformer 2 (CS)

All results from a given calculation for NH₂NO₂ (nitramide)