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	hartrees
Energy at 0K	-261.095568
Energy at 298.15K	-261.100543
HF Energy	-261.095568
Nuclear repulsion energy	126.647687

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3478	3364	23.12
2	A'	1587	1535	55.57
3	A'	1375	1330	217.85
4	A'	1008	975	16.07
5	A'	789	763	102.16
6	A'	714	691	95.34
7	A'	613	593	105.51
8	A"	3619	3500	44.82
9	A"	1655	1601	326.57
10	A"	1230	1189	57.06
11	A"	552	534	1.49
12	A"	409	396	24.27

Atom	x (Å)	y (Å)	z (Å)
N1	0.080	-1.251	0.000
N2	0.004	0.142	0.000
O3	0.004	0.687	1.099
O4	0.004	0.687	-1.099
H5	-0.326	-1.610	-0.862
H6	-0.326	-1.610	0.862

	N1	N2	O3	O4	H5	H6
N1		1.3951	2.2290	2.2290	1.0178	1.0178
N2	1.3951		1.2266	1.2266	1.9798	1.9798
O3	2.2290	1.2266		2.1980	3.0376	2.3320
O4	2.2290	1.2266	2.1980		2.3320	3.0376
H5	1.0178	1.9798	3.0376	2.3320		1.7238
H6	1.0178	1.9798	2.3320	3.0376	1.7238

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	N2	O3	116.325	N1	N2	O4	116.325
N2	N1	H5	109.271	N2	N1	H6	109.271
O3	N2	O4	127.267	H5	N1	H6	115.726

All results from a given calculation for NH₂NO₂ (nitramide)

using model chemistry: TPSSh/aug-cc-pVDZ

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	0.028
2	N	1.052
3	O	-0.638
4	O	-0.638
5	H	0.098
6	H	0.098

	x	y	z	Total
	-1.172	-3.590	0.000	3.776
CHELPG
AIM
ESP

	x	y	z
x	2.951	0.016	0.000
y	0.016	5.279	0.000
z	0.000	0.000	5.358

<r²>	58.950
(<r²>)^1/2	7.678

All results from a given calculation for NH2NO2 (nitramide)

using model chemistry: TPSSh/aug-cc-pVDZ

States and conformations

Conformer 1 (C2V)

Conformer 2 (CS)

All results from a given calculation for NH₂NO₂ (nitramide)