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	hartrees
Energy at 0K	-149.948033
Energy at 298.15K	-149.953381
HF Energy	-149.948033
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3742	3549	27.92
2	A	3618	3432	23.93
3	A	3554	3371	0.34
4	A	3097	2938	63.65
5	A	1787	1695	275.30
6	A	1662	1577	36.92
7	A	1445	1371	29.29
8	A	1361	1291	26.97
9	A	1137	1078	114.84
10	A	1119	1062	7.12
11	A	1064	1009	3.95
12	A	824	782	31.20
13	A	595	564	244.60
14	A	555	527	36.09
15	A	393	373	159.95

Atom	x (Å)	y (Å)	z (Å)
C1	0.121	0.418	0.002
N2	-1.147	-0.171	0.015
N3	1.159	-0.328	-0.011
H4	0.158	1.482	-0.014
H5	-1.899	0.480	-0.048
H6	-1.086	-1.169	-0.019
H7	2.015	0.197	0.048

	C1	N2	N3	H4	H5	H6	H7
C1		1.3976	1.2787	1.0656	2.0211	1.9933	1.9078
N2	1.3976		2.3116	2.1064	0.9969	0.9998	3.1834
N3	1.2787	2.3116		2.0692	3.1634	2.3978	1.0058
H4	1.0656	2.1064	2.0692		2.2881	2.9284	2.2596
H5	2.0211	0.9969	3.1634	2.2881		1.8383	3.9254
H6	1.9933	0.9998	2.3978	2.9284	1.8383		3.3894
H7	1.9078	3.1834	1.0058	2.2596	3.9254	3.3894

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	114.102	C1	N2	H6	111.416
C1	N3	H7	112.704	N2	C1	N3	119.407
N2	C1	H4	116.912	N3	C1	H4	123.672
H5	N2	H6	134.049

All results from a given calculation for NHCHNH₂ (aminomethanimine)

using model chemistry: wB97X-D/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	0.199
2	N	-0.741
3	N	-0.606
4	H	0.146
5	H	0.345
6	H	0.355
7	H	0.302

	x	y	z	Total
	-1.725	1.837	-0.913	2.680
CHELPG
AIM
ESP

	x	y	z
x	5.342	-0.234	0.027
y	-0.234	3.545	-0.002
z	0.027	-0.002	1.661

<r²>	44.307
(<r²>)^1/2	6.656

All results from a given calculation for NHCHNH2 (aminomethanimine)

using model chemistry: wB97X-D/6-31G*

States and conformations

All results from a given calculation for NHCHNH₂ (aminomethanimine)