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	hartrees
Energy at 0K	-149.930745
Energy at 298.15K	-149.935978
HF Energy	-149.930745
Nuclear repulsion energy	71.683099

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3664	3601	31.48
2	A	3522	3462	19.33
3	A	3466	3407	3.90
4	A	2988	2937	78.39
5	A	1688	1659	324.58
6	A	1595	1567	25.41
7	A	1374	1351	24.58
8	A	1309	1286	28.28
9	A	1089	1071	125.22
10	A	1067	1049	2.17
11	A	1002	985	0.05
12	A	774	761	59.16
13	A	560	551	93.77
14	A	523	514	70.08
15	A	360	354	185.65

Atom	x (Å)	y (Å)	z (Å)
C1	0.121	0.397	0.000
N2	-1.140	-0.150	0.061
N3	1.180	-0.335	-0.013
H4	0.107	1.500	0.008
H5	-1.927	0.407	-0.243
H6	-1.205	-1.149	-0.104
H7	2.014	0.255	0.002

	C1	N2	N3	H4	H5	H6	H7
C1		1.3768	1.2873	1.1029	2.0626	2.0398	1.8983
N2	1.3768		2.3291	2.0696	1.0106	1.0144	3.1813
N3	1.2873	2.3291		2.1255	3.2025	2.5218	1.0220
H4	1.1029	2.0696	2.1255		2.3230	2.9584	2.2772
H5	2.0626	1.0106	3.2025	2.3230		1.7209	3.9517
H6	2.0398	1.0144	2.5218	2.9584	1.7209		3.5138
H7	1.8983	3.1813	1.0220	2.2772	3.9517	3.5138

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	114.088	C1	N2	H6	111.713
C1	N3	H7	113.051	N2	C1	N3	119.419
N2	C1	H4	116.705	N3	C1	H4	123.865
H5	N2	H6	133.817

All results from a given calculation for NHCHNH₂ (aminomethanimine)

using model chemistry: B97D3/6-31+G**

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	-0.002
2	N	-0.462
3	N	-0.509
4	H	0.120
5	H	0.291
6	H	0.309
7	H	0.253

	x	y	z	Total
	-1.944	1.901	-0.698	2.807
CHELPG
AIM
ESP

	x	y	z
x	6.361	-0.420	-0.061
y	-0.420	4.513	0.013
z	-0.061	0.013	3.198

<r²>	45.307
(<r²>)^1/2	6.731

All results from a given calculation for NHCHNH2 (aminomethanimine)

using model chemistry: B97D3/6-31+G**

States and conformations

All results from a given calculation for NHCHNH₂ (aminomethanimine)