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State	Conformation	minimum conformation	conformer description	state description
1	1	no	Planar	¹A^'
1	2	yes	Non-Planar	¹A

	hartrees
Energy at 0K	-169.546196
Energy at 298.15K
HF Energy	-168.995379
Nuclear repulsion energy	71.030669

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3753	3615
2	A'	3610	3477
3	A'	2994	2884
4	A'	1789	1723
5	A'	1630	1570
6	A'	1441	1388
7	A'	1269	1222
8	A'	1052	1013
9	A'	568	547
10	A"	1021	984
11	A"	611	589
12	A"	361i	348i

Atom	x (Å)	y (Å)
C1	0.000	0.422
O2	1.202	0.232
N3	-0.942	-0.564
H4	-0.447	1.431
H5	-0.647	-1.527
H6	-1.924	-0.346

	C1	O2	N3	H4	H5	H6
C1		1.2168	1.3635	1.1036	2.0532	2.0714
O2	1.2168		2.2871	2.0390	2.5514	3.1787
N3	1.3635	2.2871		2.0548	1.0077	1.0054
H4	1.1036	2.0390	2.0548		2.9643	2.3099
H5	2.0532	2.5514	1.0077	2.9643		1.7398
H6	2.0714	3.1787	1.0054	2.3099	1.7398

All results from a given calculation for CHONH₂ (formamide)

using model chemistry: QCISD(T)/TZVP

States and conformations

Conformer 1 (Planar)

Conformer 2 (Non-Planar)

	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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atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.201	C1	N3	H6	121.207
O2	C1	N3	124.739	O2	C1	H4	122.900
N3	C1	H4	112.361	H5	N3	H6	119.592

	hartrees
Energy at 0K	-169.546602
Energy at 298.15K	-169.550528
HF Energy	-168.994846
Nuclear repulsion energy	70.966292

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3721	3584
2	A	3587	3455
3	A	2997	2887
4	A	1793	1727
5	A	1632	1572
6	A	1445	1392
7	A	1272	1225
8	A	1073	1034
9	A	1027	989
10	A	613	590
11	A	567	546
12	A	435	419

Atom	x (Å)	y (Å)	z (Å)
C1	0.162	0.391	0.003
O2	1.197	-0.248	0.008
N3	-1.093	-0.159	-0.059
H4	0.140	1.494	-0.001
H5	-1.161	-1.150	0.122
H6	-1.879	0.411	0.208

	C1	O2	N3	H4	H5	H6
C1		1.2156	1.3716	1.1034	2.0343	2.0518
O2	1.2156		2.2923	2.0368	2.5269	3.1521
N3	1.3716	2.2923		2.0632	1.0097	1.0076
H4	1.1034	2.0368	2.0632		2.9493	2.3009
H5	2.0343	2.5269	1.0097	2.9493		1.7210
H6	2.0518	3.1521	1.0076	2.3009	1.7210

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	116.541	C1	N3	H6	118.368
O2	C1	N3	124.640	O2	C1	H4	122.809
N3	C1	H4	112.491	H5	N3	H6	117.103

All results from a given calculation for CHONH2 (formamide)

using model chemistry: QCISD(T)/TZVP

States and conformations

Conformer 1 (Planar)

Conformer 2 (Non-Planar)

All results from a given calculation for CHONH₂ (formamide)