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	hartrees
Energy at 0K	-94.550712
Energy at 298.15K	-94.553627
HF Energy	-94.550712
Nuclear repulsion energy	32.909545

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3599	3436	13.79	91.98	0.60	0.75
2	A'	3446	3290	10.62	241.44	0.25	0.40
3	A'	2934	2801	107.39	121.69	0.43	0.60
4	A'	1697	1620	10.09	22.22	0.45	0.62
5	A'	1463	1397	12.21	8.69	0.33	0.50
6	A'	1400	1337	14.47	5.05	0.67	0.80
7	A'	1075	1027	23.74	8.31	0.52	0.69
8	A"	1168	1115	9.57	1.00	0.75	0.86
9	A"	808	772	150.04	0.75	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.063	0.787
N2	0.063	-0.521
H3	-1.009	1.083
H4	-0.748	-1.136
H5	0.944	-1.017

	C1	N2	H3	H4	H5
C1		1.3080	1.1122	2.0867	2.0074
N2	1.3080		1.9293	1.0174	1.0109
H3	1.1122	1.9293		2.2342	2.8677
H4	2.0867	1.0174	2.2342		1.6957
H5	2.0074	1.0109	2.8677	1.6957

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	127.182		C1	N2	H5	119.373
N2	C1	H3	105.440		H4	N2	H5	113.444

All results from a given calculation for CHNH₂ (aminomethylene)

using model chemistry: mPW1PW91/6-31G(2df,p)

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	-0.297
2	N	-0.372
3	H	0.110
4	H	0.269
5	H	0.291

	x	y	z	Total
	-1.142	-3.192	0.000	3.390
CHELPG
AIM
ESP

	x	y	z
x	2.833	-0.246	0.000
y	-0.246	3.742	0.000
z	0.000	0.000	1.750

<r²>	19.540
(<r²>)^1/2	4.420

All results from a given calculation for CHNH2 (aminomethylene)

using model chemistry: mPW1PW91/6-31G(2df,p)

States and conformations

All results from a given calculation for CHNH₂ (aminomethylene)