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	hartrees
Energy at 0K	-149.999247
Energy at 298.15K	-150.004611
Nuclear repulsion energy	71.935638

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3674	3528	19.34
2	A	3556	3415	16.36
3	A	3490	3352	0.36
4	A	3055	2933	67.61
5	A	1760	1690	250.76
6	A	1651	1585	30.72
7	A	1435	1378	30.84
8	A	1351	1298	23.68
9	A	1125	1080	94.56
10	A	1107	1063	25.71
11	A	1052	1010	3.10
12	A	811	779	25.47
13	A	609	584	269.22
14	A	554	532	20.29
15	A	414	398	130.31

Atom	x (Å)	y (Å)	z (Å)
C1	-0.124	0.395	-0.003
N2	1.141	-0.147	-0.076
N3	-1.173	-0.334	0.018
H4	-0.110	1.493	-0.014
H5	1.899	0.393	0.319
H6	1.185	-1.141	0.116
H7	-2.007	0.253	-0.003

	C1	N2	N3	H4	H5	H6	H7
C1		1.3781	1.2772	1.0990	2.0488	2.0211	1.8886
N2	1.3781		2.3236	2.0635	1.0107	1.0137	3.1747
N3	1.2772	2.3236		2.1144	3.1714	2.4937	1.0204
H4	1.0990	2.0635	2.1144		2.3148	2.9381	2.2671
H5	2.0488	1.0107	3.1714	2.3148		1.7045	3.9225
H6	2.0211	1.0137	2.4937	2.9381	1.7045		3.4851
H7	1.8886	3.1747	1.0204	2.2671	3.9225	3.4851

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	117.288	C1	N2	H6	114.487
C1	N3	H7	110.067	N2	C1	N3	122.062
N2	C1	H4	112.342	N3	C1	H4	125.536
H5	N2	H6	114.691

All results from a given calculation for NHCHNH₂ (aminomethanimine)

using model chemistry: B3LYP/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	0.212
2	N	-0.692
3	N	-0.580
4	H	0.120
5	H	0.324
6	H	0.333
7	H	0.284

	x	y	z	Total
	1.684	1.724	0.909	2.576
CHELPG
AIM
ESP

	x	y	z
x	5.461	0.203	0.047
y	0.203	3.617	0.002
z	0.047	0.002	1.671

<r²>	44.560
(<r²>)^1/2	6.675

All results from a given calculation for NHCHNH2 (aminomethanimine)

using model chemistry: B3LYP/6-31G*

States and conformations

All results from a given calculation for NHCHNH₂ (aminomethanimine)