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	hartrees
Energy at 0K	-149.815506
Energy at 298.15K	-149.820829
HF Energy	-149.815506
Nuclear repulsion energy	71.544116

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3594	3535	16.84
2	A	3470	3413	11.17
3	A	3405	3349	0.58
4	A	2969	2920	73.60
5	A	1711	1682	225.62
6	A	1598	1572	29.21
7	A	1383	1360	26.72
8	A	1318	1296	19.47
9	A	1095	1077	107.34
10	A	1080	1063	4.12
11	A	1004	988	1.22
12	A	786	773	25.77
13	A	605	595	257.90
14	A	540	531	18.96
15	A	414	408	120.36

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	0.328
H6	1.177	-1.151	0.117
H7	-2.013	0.263	-0.008

	C1	N2	N3	H4	H5	H6	H7
C1		1.3814	1.2880	1.1085	2.0563	2.0261	1.8965
N2	1.3814		2.3318	2.0719	1.0180	1.0216	3.1847
N3	1.2880	2.3318		2.1375	3.1851	2.4939	1.0287
H4	1.1085	2.0719	2.1375		2.3241	2.9521	2.2833
H5	2.0563	1.0180	3.1851	2.3241		1.7161	3.9376
H6	2.0261	1.0216	2.4939	2.9521	1.7161		3.4920
H7	1.8965	3.1847	1.0287	2.2833	3.9376	3.4920

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	117.153	C1	N2	H6	114.109
C1	N3	H7	109.379	N2	C1	N3	121.693
N2	C1	H4	112.169	N3	C1	H4	126.061
H5	N2	H6	114.576

All results from a given calculation for NHCHNH₂ (aminomethanimine)

using model chemistry: PBEPBEultrafine/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	-0.564
4	H	0.125
5	H	0.325
6	H	0.331
7	H	0.284

	x	y	z	Total
	1.726	1.612	0.895	2.525
CHELPG
AIM
ESP

	x	y	z
x	5.653	0.164	0.049
y	0.164	3.771	-0.001
z	0.049	-0.001	1.711

<r²>	44.835
(<r²>)^1/2	6.696

All results from a given calculation for NHCHNH2 (aminomethanimine)

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

All results from a given calculation for NHCHNH₂ (aminomethanimine)