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	hartrees
Energy at 0K	-27.848483
Energy at 298.15K	-27.853815
Nuclear repulsion energy	40.676188

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3672	3546	18.31
2	A	3550	3428	15.12
3	A	3506	3386	1.68
4	A	3053	2948	73.01
5	A	1725	1666	294.47
6	A	1626	1570	31.48
7	A	1406	1358	24.58
8	A	1326	1281	25.28
9	A	1113	1075	95.87
10	A	1082	1045	25.28
11	A	1030	995	1.38
12	A	797	769	32.00
13	A	609	588	332.43
14	A	539	520	8.26
15	A	410	396	108.94

Atom	x (Å)	y (Å)	z (Å)
C1	-0.125	0.400	-0.002
N2	1.157	-0.149	-0.082
N3	-1.187	-0.340	0.018
H4	-0.115	1.508	-0.015
H5	1.905	0.396	0.344
H6	1.189	-1.147	0.131
H7	-2.017	0.264	-0.000

	C1	N2	N3	H4	H5	H6	H7
C1		1.3972	1.2946	1.1076	2.0592	2.0348	1.8972
N2	1.3972		2.3540	2.0901	1.0183	1.0210	3.2022
N3	1.2946	2.3540		2.1364	3.1948	2.5124	1.0267
H4	1.1076	2.0901	2.1364		2.3338	2.9618	2.2730
H5	2.0592	1.0183	3.1948	2.3338		1.7138	3.9395
H6	2.0348	1.0210	2.5124	2.9618	1.7138		3.5059
H7	1.8972	3.2022	1.0267	2.2730	3.9395	3.5059

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	116.091	C1	N2	H6	113.679
C1	N3	H7	109.085	N2	C1	N3	121.925
N2	C1	H4	112.597	N3	C1	H4	125.399
H5	N2	H6	114.370

All results from a given calculation for NHCHNH₂ (aminomethanimine)

using model chemistry: B3LYP/CEP-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	-0.515
2	N	-0.364
3	N	-0.146
4	H	0.194
5	H	0.289
6	H	0.308
7	H	0.235

	x	y	z	Total
	1.736	1.944	1.017	2.797
CHELPG
AIM
ESP

	x	y	z
x	5.585	0.275	0.002
y	0.275	3.631	0.029
z	0.002	0.029	2.141

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for NHCHNH2 (aminomethanimine)

using model chemistry: B3LYP/CEP-31G*

States and conformations

All results from a given calculation for NHCHNH₂ (aminomethanimine)