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	hartrees
Energy at 0K	-149.591011
Energy at 298.15K	-149.596399
HF Energy	-149.096070
Nuclear repulsion energy	71.947573

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3792	3561	44.75
2	A	3648	3426	34.52
3	A	3599	3381	7.43
4	A	3162	2969	45.55
5	A	1747	1641	289.96
6	A	1659	1558	26.75
7	A	1430	1343	17.38
8	A	1359	1277	31.72
9	A	1127	1059	119.75
10	A	1114	1046	3.67
11	A	1055	991	0.27
12	A	818	768	49.88
13	A	597	561	279.38
14	A	554	520	20.66
15	A	429	403	124.67

Atom	x (Å)	y (Å)	z (Å)
C1	-0.119	0.400	0.000
N2	1.138	-0.150	-0.071
N3	-1.174	-0.335	0.015
H4	-0.117	1.490	-0.011
H5	1.906	0.394	0.286
H6	1.183	-1.140	0.119
H7	-2.003	0.254	-0.000

	C1	N2	N3	H4	H5	H6	H7
C1		1.3743	1.2859	1.0907	2.0451	2.0199	1.8887
N2	1.3743		2.3218	2.0660	1.0059	1.0094	3.1674
N3	1.2859	2.3218		2.1101	3.1769	2.4929	1.0164
H4	1.0907	2.0660	2.1101		2.3195	2.9366	2.2550
H5	2.0451	1.0059	3.1769	2.3195		1.7039	3.9211
H6	2.0199	1.0094	2.4929	2.9366	1.7039		3.4789
H7	1.8887	3.1674	1.0164	2.2550	3.9211	3.4789

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	H5	117.625	C1	N2	H6	114.999
C1	N3	H7	109.684	N2	C1	N3	121.533
N2	C1	H4	113.385	N3	C1	H4	125.006
H5	N2	H6	115.452

All results from a given calculation for NHCHNH₂ (aminomethanimine)

using model chemistry: MP2=FULL/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	0.184
2	N	-0.607
3	N	-0.598
4	H	0.132
5	H	0.303
6	H	0.330
7	H	0.255

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for NHCHNH2 (aminomethanimine)

using model chemistry: MP2=FULL/6-31+G**

States and conformations

All results from a given calculation for NHCHNH₂ (aminomethanimine)