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	hartrees
Energy at 0K	-169.771626
Energy at 298.15K
HF Energy	-169.771626
Nuclear repulsion energy	70.859933

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	546	542	9.31
2	A'	1017	1009	2.54
3	A'	1233	1223	87.96
4	A'	1366	1355	4.32
5	A'	1560	1547	57.37
6	A'	1748	1733	386.94
7	A'	2846	2822	104.64
8	A'	3494	3466	21.36
9	A'	3634	3605	33.26
10	A"	244	242	188.09
11	A"	634	629	10.81
12	A"	992	984	4.48

Atom	x (Å)	y (Å)
C1	0.000	0.421
O2	1.204	0.233
N3	-0.942	-0.564
H4	-0.456	1.439
H5	-0.651	-1.536
H6	-1.931	-0.345

	C1	O2	N3	H4	H5	H6
C1		1.2190	1.3627	1.1156	2.0619	2.0775
O2	1.2190		2.2898	2.0523	2.5633	3.1884
N3	1.3627	2.2898		2.0605	1.0151	1.0126
H4	1.1156	2.0523	2.0605		2.9810	2.3147
H5	2.0619	2.5633	1.0151	2.9810		1.7485
H6	2.0775	3.1884	1.0126	2.3147	1.7485

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.550	C1	N3	H6	121.299
O2	C1	N3	124.899	O2	C1	H4	122.998
N3	C1	H4	112.103	H5	N3	H6	119.151

All results from a given calculation for CHONH₂ (formamide)

using model chemistry: PBEPBE/6-311+G(3df,2p)

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	0.725
2	O	-0.611
3	N	-0.533
4	H	0.098
5	H	0.168
6	H	0.154

	x	y	z	Total
	-3.812	-0.738	0.000	3.883
CHELPG
AIM
ESP

	x	y	z
x	5.460	0.363	0.000
y	0.363	4.415	0.000
z	0.000	0.000	3.000

<r²>	41.506
(<r²>)^1/2	6.443

All results from a given calculation for CHONH2 (formamide)

using model chemistry: PBEPBE/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CHONH₂ (formamide)