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	hartrees
Energy at 0K	-169.882439
Energy at 298.15K	-169.886157
Nuclear repulsion energy	70.301889

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3598	3591	28.25
2	A'	3453	3447	18.81
3	A'	2858	2853	104.29
4	A'	1702	1699	389.74
5	A'	1564	1561	40.73
6	A'	1356	1354	6.95
7	A'	1216	1214	93.52
8	A'	1011	1009	3.95
9	A'	544	543	9.61
10	A"	984	982	5.43
11	A"	629	628	11.97
12	A"	273	272	189.10

Atom	x (Å)	y (Å)
C1	0.000	0.426
O2	1.215	0.230
N3	-0.952	-0.565
H4	-0.451	1.450
H5	-0.661	-1.542
H6	-1.945	-0.345

	C1	O2	N3	H4	H5	H6
C1		1.2309	1.3743	1.1192	2.0760	2.0919
O2	1.2309		2.3086	2.0654	2.5809	3.2119
N3	1.3743	2.3086		2.0765	1.0192	1.0171
H4	1.1192	2.0654	2.0765		2.9994	2.3346
H5	2.0760	2.5809	1.0192	2.9994		1.7556
H6	2.0919	3.2119	1.0171	2.3346	1.7556

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.567	C1	N3	H6	121.313
O2	C1	N3	124.695	O2	C1	H4	122.941
N3	C1	H4	112.364	H5	N3	H6	119.120

All results from a given calculation for CHONH₂ (formamide)

using model chemistry: BLYP/aug-cc-pVDZ

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	0.808
2	O	-0.423
3	N	0.245
4	H	-0.374
5	H	-0.138
6	H	-0.119

	x	y	z	Total
	-3.824	-0.685	0.000	3.884
CHELPG
AIM
ESP

	x	y	z
x	5.771	0.353	0.000
y	0.353	4.621	0.000
z	0.000	0.000	3.109

<r²>	42.150
(<r²>)^1/2	6.492

All results from a given calculation for CHONH2 (formamide)

using model chemistry: BLYP/aug-cc-pVDZ

States and conformations

All results from a given calculation for CHONH₂ (formamide)