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	hartrees
Energy at 0K	-150.024199
Energy at 298.15K	-150.029431
Nuclear repulsion energy	71.958859

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3728	3594	41.68
2	A	3589	3461	30.90
3	A	3534	3408	6.22
4	A	3057	2947	60.66
5	A	1730	1668	355.93
6	A	1625	1567	31.52
7	A	1411	1361	25.80
8	A	1331	1283	34.12
9	A	1108	1069	130.90
10	A	1086	1047	2.28
11	A	1041	1004	0.16
12	A	795	766	61.69
13	A	564	544	72.61
14	A	529	510	74.69
15	A	332	320	212.87

Atom	x (Å)	y (Å)	z (Å)
C1	-0.122	0.394	-0.001
N2	1.136	-0.149	-0.055
N3	-1.176	-0.332	0.012
H4	-0.115	1.491	-0.007
H5	1.928	0.413	0.217
H6	1.210	-1.147	0.093
H7	-2.013	0.248	0.001

	C1	N2	N3	H4	H5	H6	H7
C1		1.3716	1.2800	1.0977	2.0613	2.0387	1.8962
N2	1.3716		2.3208	2.0636	1.0076	1.0113	3.1746
N3	1.2800	2.3208		2.1102	3.1985	2.5226	1.0182
H4	1.0977	2.0636	2.1102		2.3207	2.9538	2.2690
H5	2.0613	1.0076	3.1985	2.3207		1.7210	3.9497
H6	2.0387	1.0113	2.5226	2.9538	1.7210		3.5128
H7	1.8962	3.1746	1.0182	2.2690	3.9497	3.5128

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	119.302	C1	N2	H6	116.830
C1	N3	H7	110.686	N2	C1	N3	122.116
N2	C1	H4	112.910	N3	C1	H4	124.940
H5	N2	H6	116.958

All results from a given calculation for NHCHNH₂ (aminomethanimine)

using model chemistry: B3LYP/6-31+G**

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	0.061
2	N	-0.491
3	N	-0.534
4	H	0.114
5	H	0.290
6	H	0.308
7	H	0.251

	x	y	z	Total
	1.955	2.000	0.651	2.871
CHELPG
AIM
ESP

	x	y	z
x	6.170	0.426	-0.056
y	0.426	4.330	-0.012
z	-0.056	-0.012	3.120

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for NHCHNH2 (aminomethanimine)

using model chemistry: B3LYP/6-31+G**

States and conformations

All results from a given calculation for NHCHNH₂ (aminomethanimine)