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	hartrees
Energy at 0K	-148.528391
Energy at 298.15K	-148.533253
Nuclear repulsion energy	71.784079

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3778	3520	34.99
2	A'	3645	3395	37.86
3	A'	3457	3220	1.37
4	A'	3097	2885	56.23
5	A'	1777	1656	228.44
6	A'	1723	1605	17.11
7	A'	1465	1365	47.81
8	A'	1379	1284	36.52
9	A'	1134	1056	163.23
10	A'	1102	1026	26.27
11	A'	556	518	20.63
12	A"	1120	1043	2.00
13	A"	848	790	49.33
14	A"	555	517	170.12
15	A"	50	46	284.50

Atom	x (Å)	y (Å)
C1	0.000	0.418
N2	-1.040	-0.485
N3	1.223	0.039
H4	-0.346	1.455
H5	-2.000	-0.192
H6	-0.820	-1.468
H7	1.883	0.822

	C1	N2	N3	H4	H5	H6	H7
C1		1.3774	1.2805	1.0935	2.0910	2.0569	1.9262
N2	1.3774		2.3231	2.0606	1.0038	1.0073	3.2023
N3	1.2805	2.3231		2.1139	3.2315	2.5392	1.0242
H4	1.0935	2.0606	2.1139		2.3341	2.9616	2.3178
H5	2.0910	1.0038	3.2315	2.3341		1.7379	4.0136
H6	2.0569	1.0073	2.5392	2.9616	1.7379		3.5434
H7	1.9262	3.2023	1.0242	2.3178	4.0136	3.5434

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	122.049	C1	N2	H6	118.377
C1	N3	H7	112.921	N2	C1	N3	121.816
N2	C1	H4	112.507	N3	C1	H4	125.677
H5	N2	H6	119.574

All results from a given calculation for NHCHNH₂ (aminomethanimine)

using model chemistry: CID/3-21G

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	0.425
2	N	-0.899
3	N	-0.705
4	H	0.206
5	H	0.342
6	H	0.359
7	H	0.272

<r²>	44.881
(<r²>)^1/2	6.699

All results from a given calculation for NHCHNH2 (aminomethanimine)

using model chemistry: CID/3-21G

States and conformations

All results from a given calculation for NHCHNH₂ (aminomethanimine)