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	hartrees
Energy at 0K	-149.815501
Energy at 298.15K	-149.820820
Nuclear repulsion energy	71.545622

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3594	3543	16.94
2	A	3471	3421	11.23
3	A	3404	3355	0.58
4	A	2969	2926	73.56
5	A	1710	1686	225.88
6	A	1598	1575	29.22
7	A	1383	1363	26.75
8	A	1317	1299	19.50
9	A	1095	1079	106.73
10	A	1080	1064	4.73
11	A	1004	989	1.17
12	A	785	774	25.63
13	A	603	595	255.95
14	A	539	531	19.63
15	A	413	407	121.63

Atom	x (Å)	y (Å)	z (Å)
C1	-0.122	0.399	-0.001
N2	1.144	-0.149	-0.078
N3	-1.178	-0.337	0.019
H4	-0.099	1.508	-0.015
H5	1.908	0.387	0.327
H6	1.177	-1.151	0.117
H7	-2.013	0.263	-0.009

	C1	N2	N3	H4	H5	H6	H7
C1		1.3813	1.2881	1.1085	2.0565	2.0262	1.8965
N2	1.3813		2.3317	2.0718	1.0179	1.0216	3.1846
N3	1.2881	2.3317		2.1375	3.1854	2.4941	1.0287
H4	1.1085	2.0718	2.1375		2.3243	2.9522	2.2832
H5	2.0565	1.0179	3.1854	2.3243		1.7164	3.9380
H6	2.0262	1.0216	2.4941	2.9522	1.7164		3.4921
H7	1.8965	3.1846	1.0287	2.2832	3.9380	3.4921

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	117.191	C1	N2	H6	114.135
C1	N3	H7	109.375	N2	C1	N3	121.690
N2	C1	H4	112.176	N3	C1	H4	126.057
H5	N2	H6	114.609

All results from a given calculation for NHCHNH₂ (aminomethanimine)

using model chemistry: PBEPBE/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	0.168
2	N	-0.669
3	N	-0.565
4	H	0.125
5	H	0.325
6	H	0.331
7	H	0.284

	x	y	z	Total
	1.729	1.612	0.891	2.527
CHELPG
AIM
ESP

	x	y	z
x	5.653	0.164	0.051
y	0.164	3.771	-0.000
z	0.051	-0.000	1.713

<r²>	44.833
(<r²>)^1/2	6.696

All results from a given calculation for NHCHNH2 (aminomethanimine)

using model chemistry: PBEPBE/6-31G*

States and conformations

All results from a given calculation for NHCHNH₂ (aminomethanimine)