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	hartrees
Energy at 0K	-33.249912
Energy at 298.15K	-33.253922
Nuclear repulsion energy	39.476314

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3794	3633	35.66
2	A'	3632	3478	38.93
3	A'	3044	2914	110.72
4	A'	1725	1652	425.17
5	A'	1635	1565	37.38
6	A'	1401	1342	13.45
7	A'	1278	1224	109.08
8	A'	1050	1005	4.28
9	A'	545	522	11.62
10	A"	1021	977	3.66
11	A"	670	641	246.65
12	A"	547	524	187.11

Atom	x (Å)	y (Å)
C1	0.000	0.431
O2	1.233	0.208
N3	-0.972	-0.551
H4	-0.417	1.459
H5	-0.688	-1.525
H6	-1.958	-0.321

	C1	O2	N3	H4	H5	H6
C1		1.2532	1.3816	1.1096	2.0736	2.0969
O2	1.2532		2.3320	2.0711	2.5874	3.2343
N3	1.3816	2.3320		2.0852	1.0146	1.0123
H4	1.1096	2.0711	2.0852		2.9964	2.3536
H5	2.0736	2.5874	1.0146	2.9964		1.7501
H6	2.0969	3.2343	1.0123	2.3536	1.7501

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.051	C1	N3	H6	121.544
O2	C1	N3	124.454	O2	C1	H4	122.344
N3	C1	H4	113.202	H5	N3	H6	119.405

All results from a given calculation for CHONH₂ (formamide)

using model chemistry: B1B95/CEP-31G

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	-0.264
2	O	-0.158
3	N	-0.374
4	H	0.165
5	H	0.327
6	H	0.304

	x	y	z	Total
	-4.583	-0.570	0.000	4.618
CHELPG
AIM
ESP

	x	y	z
x	4.329	0.341	0.000
y	0.341	2.946	0.000
z	0.000	0.000	1.538

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CHONH2 (formamide)

using model chemistry: B1B95/CEP-31G

States and conformations

All results from a given calculation for CHONH₂ (formamide)