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	hartrees
Energy at 0K	-150.074750
Energy at 298.15K	-150.079988
Nuclear repulsion energy	72.261852

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3707	3587	39.02
2	A	3576	3460	28.08
3	A	3523	3409	8.15
4	A	3038	2939	53.12
5	A	1717	1662	334.30
6	A	1624	1571	23.86
7	A	1406	1360	27.47
8	A	1328	1284	34.39
9	A	1106	1070	135.17
10	A	1086	1051	1.49
11	A	1046	1012	0.14
12	A	798	772	52.82
13	A	566	548	54.72
14	A	529	512	52.92
15	A	323	312	190.04

Atom	x (Å)	y (Å)	z (Å)
C1	-0.123	0.390	-0.001
N2	1.133	-0.148	-0.053
N3	-1.171	-0.330	0.011
H4	-0.118	1.484	-0.005
H5	1.920	0.418	0.205
H6	1.214	-1.141	0.094
H7	-2.009	0.242	0.003

	C1	N2	N3	H4	H5	H6	H7
C1		1.3671	1.2720	1.0935	2.0536	2.0353	1.8917
N2	1.3671		2.3121	2.0565	1.0033	1.0072	3.1660
N3	1.2720	2.3121		2.0974	3.1866	2.5213	1.0138
H4	1.0935	2.0565	2.0974		2.3096	2.9453	2.2624
H5	2.0536	1.0033	3.1866	2.3096		1.7148	3.9380
H6	2.0353	1.0072	2.5213	2.9453	1.7148		3.5084
H7	1.8917	3.1660	1.0138	2.2624	3.9380	3.5084

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	119.281	C1	N2	H6	117.203
C1	N3	H7	111.203	N2	C1	N3	122.310
N2	C1	H4	112.917	N3	C1	H4	124.743
H5	N2	H6	117.062

All results from a given calculation for NHCHNH₂ (aminomethanimine)

using model chemistry: B3LYP/aug-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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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	-0.053
2	N	-0.155
3	N	-0.487
4	H	0.434
5	H	0.055
6	H	0.114
7	H	0.091

	x	y	z	Total
	1.984	1.797	0.566	2.736
CHELPG
AIM
ESP

	x	y	z
x	6.654	0.260	-0.033
y	0.260	4.809	-0.010
z	-0.033	-0.010	3.675

<r²>	44.881
(<r²>)^1/2	6.699

All results from a given calculation for NHCHNH2 (aminomethanimine)

using model chemistry: B3LYP/aug-cc-pVTZ

States and conformations

All results from a given calculation for NHCHNH₂ (aminomethanimine)