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	hartrees
Energy at 0K	-149.928048
Energy at 298.15K	-149.933413
Nuclear repulsion energy	72.272762

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3732	3543	26.92
2	A	3607	3425	22.37
3	A	3546	3366	0.41
4	A	3088	2932	64.63
5	A	1790	1699	267.88
6	A	1657	1573	37.00
7	A	1443	1370	26.47
8	A	1358	1289	25.32
9	A	1129	1072	117.28
10	A	1116	1060	2.15
11	A	1061	1007	2.94
12	A	818	777	27.96
13	A	606	576	256.79
14	A	551	523	26.22
15	A	411	390	146.63

Atom	x (Å)	y (Å)	z (Å)
C1	-0.122	0.393	-0.003
N2	1.134	-0.146	-0.073
N3	-1.167	-0.333	0.018
H4	-0.111	1.489	-0.014
H5	1.895	0.391	0.309
H6	1.178	-1.138	0.112
H7	-1.997	0.254	-0.002

	C1	N2	N3	H4	H5	H6	H7
C1		1.3693	1.2723	1.0962	2.0416	2.0115	1.8794
N2	1.3693		2.3112	2.0558	1.0067	1.0101	3.1575
N3	1.2723	2.3112		2.1062	3.1604	2.4811	1.0164
H4	1.0962	2.0558	2.1062		2.3092	2.9283	2.2542
H5	2.0416	1.0067	3.1604	2.3092		1.7005	3.9067
H6	2.0115	1.0101	2.4811	2.9283	1.7005		3.4681
H7	1.8794	3.1575	1.0164	2.2542	3.9067	3.4681

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	117.649	C1	N2	H6	114.588
C1	N3	H7	109.898	N2	C1	N3	122.024
N2	C1	H4	112.518	N3	C1	H4	125.400
H5	N2	H6	114.948

All results from a given calculation for NHCHNH₂ (aminomethanimine)

using model chemistry: B1B95/6-31G*

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	0.200
2	N	-0.726
3	N	-0.598
4	H	0.138
5	H	0.340
6	H	0.349
7	H	0.298

	x	y	z	Total
	1.711	1.757	0.900	2.612
CHELPG
AIM
ESP

	x	y	z
x	5.367	0.215	0.035
y	0.215	3.565	0.001
z	0.035	0.001	1.669

<r²>	44.161
(<r²>)^1/2	6.645

All results from a given calculation for NHCHNH2 (aminomethanimine)

using model chemistry: B1B95/6-31G*

States and conformations

All results from a given calculation for NHCHNH₂ (aminomethanimine)