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	hartrees
Energy at 0K	-150.016391
Energy at 298.15K	-150.021727
Nuclear repulsion energy	72.111235

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3700	3571	25.95
2	A	3575	3450	20.55
3	A	3514	3391	1.26
4	A	3035	2929	59.69
5	A	1747	1686	247.27
6	A	1623	1566	28.63
7	A	1412	1363	28.08
8	A	1337	1290	25.76
9	A	1109	1070	119.17
10	A	1095	1057	2.93
11	A	1051	1015	1.90
12	A	809	781	30.07
13	A	583	562	150.04
14	A	542	523	44.00
15	A	399	385	143.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.124	0.392	-0.002
N2	1.138	-0.147	-0.070
N3	-1.172	-0.332	0.015
H4	-0.108	1.490	-0.009
H5	1.902	0.402	0.286
H6	1.194	-1.138	0.117
H7	-2.005	0.251	0.001

	C1	N2	N3	H4	H5	H6	H7
C1		1.3739	1.2736	1.0980	2.0467	2.0232	1.8864
N2	1.3739		2.3182	2.0584	1.0066	1.0100	3.1687
N3	1.2736	2.3182		2.1098	3.1717	2.5012	1.0172
H4	1.0980	2.0584	2.1098		2.3051	2.9359	2.2659
H5	2.0467	1.0066	3.1717	2.3051		1.7034	3.9207
H6	2.0232	1.0100	2.5012	2.9359	1.7034		3.4896
H7	1.8864	3.1687	1.0172	2.2659	3.9207	3.4896

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	117.749	C1	N2	H6	115.281
C1	N3	H7	110.368	N2	C1	N3	122.189
N2	C1	H4	112.274	N3	C1	H4	125.486
H5	N2	H6	115.277

All results from a given calculation for NHCHNH₂ (aminomethanimine)

using model chemistry: B3LYP/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	0.089
2	N	-0.460
3	N	-0.444
4	H	0.087
5	H	0.252
6	H	0.256
7	H	0.219

	x	y	z	Total
	1.791	1.621	0.743	2.528
CHELPG
AIM
ESP

	x	y	z
x	5.579	0.150	0.045
y	0.150	3.756	-0.004
z	0.045	-0.004	2.115

<r²>	44.405
(<r²>)^1/2	6.664

All results from a given calculation for NHCHNH2 (aminomethanimine)

using model chemistry: B3LYP/6-31G(2df,p)

States and conformations

All results from a given calculation for NHCHNH₂ (aminomethanimine)