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	hartrees
Energy at 0K	-149.110263
Energy at 298.15K	-149.115522
Nuclear repulsion energy	71.817804

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3710	3560	37.01
2	A'	3570	3425	32.04
3	A'	3406	3268	1.04
4	A'	3023	2900	76.53
5	A'	1740	1670	230.60
6	A'	1659	1591	29.23
7	A'	1401	1344	44.01
8	A'	1344	1289	34.05
9	A'	1108	1063	142.58
10	A'	1078	1034	29.64
11	A'	542	520	20.95
12	A"	1082	1038	0.17
13	A"	816	783	34.37
14	A"	603	579	242.01
15	A"	317	304	196.50

Atom	x (Å)	y (Å)
C1	0.000	0.417
N2	-1.039	-0.475
N3	1.223	0.027
H4	-0.354	1.456
H5	-2.002	-0.176
H6	-0.820	-1.464
H7	1.887	0.813

	C1	N2	N3	H4	H5	H6	H7
C1		1.3689	1.2834	1.0982	2.0878	2.0519	1.9285
N2	1.3689		2.3167	2.0491	1.0086	1.0129	3.1970
N3	1.2834	2.3167		2.1279	3.2312	2.5296	1.0289
H4	1.0982	2.0491	2.1279		2.3195	2.9574	2.3317
H5	2.0878	1.0086	3.2312	2.3195		1.7481	4.0130
H6	2.0519	1.0129	2.5296	2.9574	1.7481		3.5379
H7	1.9285	3.1970	1.0289	2.3317	4.0130	3.5379

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	122.102	C1	N2	H6	118.194
C1	N3	H7	112.565	N2	C1	N3	121.696
N2	C1	H4	111.850	N3	C1	H4	126.454
H5	N2	H6	119.704

All results from a given calculation for NHCHNH₂ (aminomethanimine)

using model chemistry: B3PW91/3-21G*

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	0.280
2	N	-0.765
3	N	-0.619
4	H	0.188
5	H	0.323
6	H	0.333
7	H	0.259

	x	y	z	Total
	-2.411	1.129	0.000	2.662
CHELPG
AIM
ESP

	x	y	z
x	5.045	0.358	0.000
y	0.358	3.265	0.000
z	0.000	0.000	1.026

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for NHCHNH2 (aminomethanimine)

using model chemistry: B3PW91/3-21G*

States and conformations

All results from a given calculation for NHCHNH₂ (aminomethanimine)