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	hartrees
Energy at 0K	-150.040391
Energy at 298.15K	-150.045749
Nuclear repulsion energy	72.100628

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3688	3563	15.23
2	A	3568	3447	12.30
3	A	3506	3388	0.62
4	A	3028	2926	78.36
5	A	1746	1687	270.96
6	A	1661	1605	30.42
7	A	1428	1380	35.55
8	A	1345	1300	22.43
9	A	1128	1090	91.52
10	A	1102	1065	38.57
11	A	1050	1015	2.81
12	A	810	783	36.25
13	A	596	576	226.89
14	A	553	535	29.25
15	A	403	389	155.79

Atom	x (Å)	y (Å)	z (Å)
C1	-0.125	0.392	-0.003
N2	1.139	-0.146	-0.071
N3	-1.171	-0.332	0.017
H4	-0.115	1.490	-0.013
H5	1.902	0.397	0.299
H6	1.190	-1.139	0.109
H7	-2.007	0.246	-0.002

	C1	N2	N3	H4	H5	H6	H7
C1		1.3753	1.2728	1.0979	2.0495	2.0215	1.8875
N2	1.3753		2.3188	2.0622	1.0072	1.0103	3.1706
N3	1.2728	2.3188		2.1066	3.1710	2.4966	1.0169
H4	1.0979	2.0622	2.1066		2.3158	2.9378	2.2640
H5	2.0495	1.0072	3.1710	2.3158		1.7034	3.9235
H6	2.0215	1.0103	2.4966	2.9378	1.7034		3.4858
H7	1.8875	3.1706	1.0169	2.2640	3.9235	3.4858

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	117.858	C1	N2	H6	115.000
C1	N3	H7	110.548	N2	C1	N3	122.200
N2	C1	H4	112.507	N3	C1	H4	125.241
H5	N2	H6	115.192

All results from a given calculation for NHCHNH₂ (aminomethanimine)

using model chemistry: B3LYP/6-311G*

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	0.116
2	N	-0.696
3	N	-0.527
4	H	0.166
5	H	0.333
6	H	0.336
7	H	0.272

	x	y	z	Total
	1.722	1.801	0.852	2.634
CHELPG
AIM
ESP

	x	y	z
x	5.552	0.231	0.035
y	0.231	3.835	-0.014
z	0.035	-0.014	2.097

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for NHCHNH2 (aminomethanimine)

using model chemistry: B3LYP/6-311G*

States and conformations

All results from a given calculation for NHCHNH₂ (aminomethanimine)