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	hartrees
Energy at 0K	-149.975043
Energy at 298.15K	-149.980336
HF Energy	-149.975043
Nuclear repulsion energy	71.956189

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3636	3585	21.17
2	A	3505	3456	12.74
3	A	3449	3401	1.54
4	A	2963	2921	78.17
5	A	1686	1663	252.79
6	A	1591	1569	22.44
7	A	1373	1353	29.60
8	A	1308	1290	23.31
9	A	1088	1073	120.84
10	A	1070	1055	5.32
11	A	1012	998	0.28
12	A	781	770	37.97
13	A	570	562	114.52
14	A	530	522	48.73
15	A	390	384	149.35

Atom	x (Å)	y (Å)	z (Å)
C1	0.123	0.394	0.001
N2	-1.139	-0.149	0.068
N3	1.175	-0.333	-0.014
H4	0.108	1.494	0.008
H5	-1.909	0.406	-0.270
H6	-1.199	-1.141	-0.116
H7	2.008	0.253	0.000

	C1	N2	N3	H4	H5	H6	H7
C1		1.3753	1.2785	1.1002	2.0503	2.0291	1.8895
N2	1.3753		2.3226	2.0631	1.0075	1.0112	3.1727
N3	1.2785	2.3226		2.1156	3.1816	2.5095	1.0185
H4	1.1002	2.0631	2.1156		2.3085	2.9439	2.2684
H5	2.0503	1.0075	3.1816	2.3085		1.7097	3.9288
H6	2.0291	1.0112	2.5095	2.9439	1.7097		3.4983
H7	1.8895	3.1727	1.0185	2.2684	3.9288	3.4983

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	114.025	C1	N2	H6	111.623
C1	N3	H7	112.607	N2	C1	N3	119.471
N2	C1	H4	116.676	N3	C1	H4	123.842
H5	N2	H6	133.932

All results from a given calculation for NHCHNH₂ (aminomethanimine)

using model chemistry: B97D3/cc-pVTZ

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	0.022
2	N	-0.184
3	N	-0.294
4	H	0.038
5	H	0.142
6	H	0.147
7	H	0.128

	x	y	z	Total
	-1.866	1.632	-0.683	2.572
CHELPG
AIM
ESP

	x	y	z
x	6.092	-0.186	0.031
y	-0.186	4.348	0.011
z	0.031	0.011	2.730

<r²>	44.743
(<r²>)^1/2	6.689

All results from a given calculation for NHCHNH2 (aminomethanimine)

using model chemistry: B97D3/cc-pVTZ

States and conformations

All results from a given calculation for NHCHNH₂ (aminomethanimine)