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	hartrees
Energy at 0K	-149.906807
Energy at 298.15K	-149.912148
HF Energy	-149.906807
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3605	3535	13.95
2	A	3482	3414	9.55
3	A	3414	3348	1.24
4	A	2982	2924	85.11
5	A	1714	1681	228.52
6	A	1620	1588	26.11
7	A	1397	1370	30.03
8	A	1329	1303	20.58
9	A	1106	1084	95.93
10	A	1086	1065	18.10
11	A	1012	993	1.65
12	A	789	774	23.64
13	A	611	599	277.75
14	A	546	536	14.94
15	A	417	409	112.59

Atom	x (Å)	y (Å)	z (Å)
C1	0.123	0.398	0.002
N2	-1.144	-0.148	0.079
N3	1.177	-0.337	-0.019
H4	0.102	1.502	0.015
H5	-1.901	0.387	-0.333
H6	-1.181	-1.145	-0.120
H7	2.009	0.261	0.007

	C1	N2	N3	H4	H5	H6	H7
C1		1.3823	1.2854	1.1041	2.0511	2.0238	1.8913
N2	1.3823		2.3315	2.0690	1.0141	1.0173	3.1810
N3	1.2854	2.3315		2.1303	3.1775	2.4948	1.0247
H4	1.1041	2.0690	2.1303		2.3184	2.9446	2.2754
H5	2.0511	1.0141	3.1775	2.3184		1.7064	3.9267
H6	2.0238	1.0173	2.4948	2.9446	1.7064		3.4884
H7	1.8913	3.1810	1.0247	2.2754	3.9267	3.4884

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	114.068	C1	N2	H6	111.481
C1	N3	H7	112.508	N2	C1	N3	119.376
N2	C1	H4	116.534	N3	C1	H4	124.079
H5	N2	H6	134.007

All results from a given calculation for NHCHNH₂ (aminomethanimine)

using model chemistry: B97D3/6-31G*

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	C	0.190
2	N	-0.675
3	N	-0.572
4	H	0.121
5	H	0.323
6	H	0.331
7	H	0.283

	x	y	z	Total
	-1.709	1.643	-0.916	2.542
CHELPG
AIM
ESP

	x	y	z
x	5.594	-0.178	0.047
y	-0.178	3.737	-0.001
z	0.047	-0.001	1.712

<r²>	44.730
(<r²>)^1/2	6.688

All results from a given calculation for NHCHNH2 (aminomethanimine)

using model chemistry: B97D3/6-31G*

States and conformations

All results from a given calculation for NHCHNH₂ (aminomethanimine)