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	hartrees
Energy at 0K	-33.301619
Energy at 298.15K	-33.305098
Nuclear repulsion energy	39.856892

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3773	3612	46.96
2	A'	3628	3473	43.62
3	A'	2998	2870	115.23
4	A'	1845	1766	463.04
5	A'	1611	1542	71.74
6	A'	1406	1346	3.24
7	A'	1267	1213	102.81
8	A'	1027	983	3.23
9	A'	546	522	10.14
10	A"	1028	984	4.27
11	A"	635	608	17.89
12	A"	111	106	285.62

Atom	x (Å)	y (Å)
C1	0.000	0.424
O2	1.211	0.237
N3	-0.949	-0.570
H4	-0.456	1.443
H5	-0.649	-1.540
H6	-1.939	-0.358

	C1	O2	N3	H4	H5	H6
C1		1.2252	1.3743	1.1156	2.0682	2.0909
O2	1.2252		2.3056	2.0567	2.5718	3.2057
N3	1.3743	2.3056		2.0719	1.0152	1.0127
H4	1.1156	2.0567	2.0719		2.9883	2.3327
H5	2.0682	2.5718	1.0152	2.9883		1.7500
H6	2.0909	3.2057	1.0127	2.3327	1.7500

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.118	C1	N3	H6	121.578
O2	C1	N3	124.887	O2	C1	H4	122.894
N3	C1	H4	112.220	H5	N3	H6	119.303

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	-0.320
2	O	-0.134
3	N	-0.357
4	H	0.158
5	H	0.337
6	H	0.316

	x	y	z	Total
	-4.109	-0.741	0.000	4.176
CHELPG
AIM
ESP

	x	y	z
x	4.213	0.351	0.000
y	0.351	3.149	0.000
z	0.000	0.000	1.765

<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)