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	hartrees
Energy at 0K	-149.979900
Energy at 298.15K	-149.985184
Nuclear repulsion energy	71.250061

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3781	3634	36.39
2	A'	3624	3483	38.98
3	A'	3496	3360	8.34
4	A'	3064	2945	67.58
5	A'	1717	1650	322.23
6	A'	1641	1577	24.34
7	A'	1390	1336	52.24
8	A'	1332	1280	30.76
9	A'	1098	1055	137.66
10	A'	1062	1021	29.46
11	A'	529	509	25.36
12	A"	1065	1024	0.64
13	A"	799	768	74.14
14	A"	595	572	265.40
15	A"	372	357	183.70

Atom	x (Å)	y (Å)
C1	0.000	0.423
N2	-1.054	-0.469
N3	1.235	0.016
H4	-0.332	1.471
H5	-2.012	-0.158
H6	-0.848	-1.460
H7	1.922	0.779

	C1	N2	N3	H4	H5	H6	H7
C1		1.3806	1.3006	1.0997	2.0947	2.0652	1.9544
N2	1.3806		2.3397	2.0703	1.0080	1.0117	3.2265
N3	1.3006	2.3397		2.1389	3.2523	2.5533	1.0262
H4	1.0997	2.0703	2.1389		2.3407	2.9763	2.3580
H5	2.0947	1.0080	3.2523	2.3407		1.7462	4.0442
H6	2.0652	1.0117	2.5533	2.9763	1.7462		3.5616
H7	1.9544	3.2265	1.0262	2.3580	4.0442	3.5616

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	121.771	C1	N2	H6	118.557
C1	N3	H7	113.752	N2	C1	N3	121.498
N2	C1	H4	112.679	N3	C1	H4	125.823
H5	N2	H6	119.671

All results from a given calculation for NHCHNH₂ (aminomethanimine)

using model chemistry: B3LYP/LANL2DZ

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	C	-0.136
2	N	-0.568
3	N	-0.346
4	H	0.192
5	H	0.306
6	H	0.323
7	H	0.228

	x	y	z	Total
	-2.655	1.484	0.000	3.042
CHELPG
AIM
ESP

	x	y	z
x	5.644	0.330	0.000
y	0.330	3.514	0.000
z	0.000	0.000	1.610

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for NHCHNH2 (aminomethanimine)

using model chemistry: B3LYP/LANL2DZ

States and conformations

All results from a given calculation for NHCHNH₂ (aminomethanimine)