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	hartrees
Energy at 0K	-149.959936
Energy at 298.15K	-149.965232
Nuclear repulsion energy	71.506302

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3581	3561	15.94
2	A	3458	3439	10.62
3	A	3391	3372	0.19
4	A	2938	2921	69.42
5	A	1679	1670	213.36
6	A	1577	1568	21.39
7	A	1363	1355	27.82
8	A	1302	1294	21.59
9	A	1076	1070	110.83
10	A	1062	1056	5.13
11	A	1006	1001	1.01
12	A	780	776	28.10
13	A	578	575	167.89
14	A	530	527	30.58
15	A	404	402	119.14

Atom	x (Å)	y (Å)	z (Å)
C1	-0.125	0.398	-0.001
N2	1.147	-0.149	-0.075
N3	-1.181	-0.335	0.017
H4	-0.099	1.503	-0.011
H5	1.912	0.398	0.306
H6	1.196	-1.148	0.122
H7	-2.020	0.255	-0.004

	C1	N2	N3	H4	H5	H6	H7
C1		1.3860	1.2857	1.1061	2.0599	2.0366	1.9009
N2	1.3860		2.3367	2.0703	1.0152	1.0187	3.1933
N3	1.2857	2.3367		2.1337	3.1920	2.5144	1.0264
H4	1.1061	2.0703	2.1337		2.3164	2.9533	2.2914
H5	2.0599	1.0152	3.1920	2.3164		1.7130	3.9473
H6	2.0366	1.0187	2.5144	2.9533	1.7130		3.5114
H7	1.9009	3.1933	1.0264	2.2914	3.9473	3.5114

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	117.321	C1	N2	H6	114.908
C1	N3	H7	110.094	N2	C1	N3	121.960
N2	C1	H4	111.862	N3	C1	H4	126.111
H5	N2	H6	114.759

All results from a given calculation for NHCHNH₂ (aminomethanimine)

using model chemistry: BLYP/6-31G(2df,p)

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	0.080
2	N	-0.404
3	N	-0.413
4	H	0.068
5	H	0.233
6	H	0.235
7	H	0.200

	x	y	z	Total
	1.769	1.500	0.742	2.435
CHELPG
AIM
ESP

	x	y	z
x	5.828	0.110	0.064
y	0.110	3.919	-0.006
z	0.064	-0.006	2.143

<r²>	44.999
(<r²>)^1/2	6.708

All results from a given calculation for NHCHNH2 (aminomethanimine)

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

All results from a given calculation for NHCHNH₂ (aminomethanimine)