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	hartrees
Energy at 0K	-149.164489
Energy at 298.15K	-149.169699
Nuclear repulsion energy	71.735914

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3679	3540	29.89
2	A'	3542	3408	26.61
3	A'	3370	3242	2.21
4	A'	3016	2901	76.73
5	A'	1731	1665	229.35
6	A'	1659	1596	22.94
7	A'	1401	1348	45.73
8	A'	1340	1289	33.04
9	A'	1102	1060	158.45
10	A'	1077	1036	17.05
11	A'	543	522	19.57
12	A"	1081	1040	0.26
13	A"	813	782	33.41
14	A"	593	570	209.53
15	A"	283	273	204.80

Atom	x (Å)	y (Å)
C1	0.000	0.418
N2	-1.039	-0.479
N3	1.224	0.031
H4	-0.357	1.455
H5	-2.004	-0.180
H6	-0.820	-1.468
H7	1.888	0.819

	C1	N2	N3	H4	H5	H6	H7
C1		1.3724	1.2836	1.0972	2.0910	2.0563	1.9300
N2	1.3724		2.3200	2.0504	1.0094	1.0135	3.2018
N3	1.2836	2.3200		2.1279	3.2346	2.5349	1.0301
H4	1.0972	2.0504	2.1279		2.3207	2.9596	2.3335
H5	2.0910	1.0094	3.2346	2.3207		1.7490	4.0177
H6	2.0563	1.0135	2.5349	2.9596	1.7490		3.5443
H7	1.9300	3.2018	1.0301	2.3335	4.0177	3.5443

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	122.045	C1	N2	H6	118.276
C1	N3	H7	112.596	N2	C1	N3	121.701
N2	C1	H4	111.770	N3	C1	H4	126.529
H5	N2	H6	119.679

All results from a given calculation for NHCHNH₂ (aminomethanimine)

using model chemistry: B3LYP/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	0.296
2	N	-0.726
3	N	-0.596
4	H	0.166
5	H	0.304
6	H	0.314
7	H	0.242

	x	y	z	Total
	-2.367	1.088	0.000	2.605
CHELPG
AIM
ESP

	x	y	z
x	5.087	0.381	0.000
y	0.381	3.293	0.000
z	0.000	0.000	1.018

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for NHCHNH2 (aminomethanimine)

using model chemistry: B3LYP/3-21G*

States and conformations

All results from a given calculation for NHCHNH₂ (aminomethanimine)