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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	-169.642587
Energy at 298.15K
HF Energy	-169.001079
Nuclear repulsion energy	71.152600

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3759	3566
2	A'	3614	3429
3	A'	2980	2827
4	A'	1802	1710
5	A'	1618	1535
6	A'	1424	1351
7	A'	1276	1210
8	A'	1051	997
9	A'	563	534
10	A"	1050	996
11	A"	637	605
12	A"	133i	126i

Atom	x (Å)	y (Å)
C1	0.000	0.420
O2	1.200	0.233
N3	-0.941	-0.563
H4	-0.450	1.427
H5	-0.646	-1.524
H6	-1.919	-0.343

	C1	O2	N3	H4	H5	H6
C1		1.2147	1.3610	1.1027	2.0489	2.0653
O2	1.2147		2.2847	2.0366	2.5494	3.1723
N3	1.3610	2.2847		2.0496	1.0051	1.0025
H4	1.1027	2.0366	2.0496		2.9574	2.3001
H5	2.0489	2.5494	1.0051	2.9574		1.7363
H6	2.0653	3.1723	1.0025	2.3001	1.7363

All results from a given calculation for CHONH₂ (formamide)

using model chemistry: QCISD(T)/cc-pVTZ

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	119.211	C1	N3	H6	121.068
O2	C1	N3	124.906	O2	C1	H4	122.928
N3	C1	H4	112.166	H5	N3	H6	119.721

	hartrees
Energy at 0K	-169.642608
Energy at 298.15K	-169.646268
HF Energy	-169.000997
Nuclear repulsion energy	71.127540

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3748	3556
2	A	3607	3422
3	A	2981	2828
4	A	1803	1710
5	A	1620	1537
6	A	1424	1351
7	A	1274	1209
8	A	1062	1008
9	A	1042	989
10	A	630	597
11	A	561	533
12	A	201	191

Atom	x (Å)	y (Å)	z (Å)
C1	0.161	0.388	0.001
O2	1.197	-0.246	0.005
N3	-1.087	-0.159	-0.033
H4	0.134	1.490	0.001
H5	-1.175	-1.156	0.070
H6	-1.895	0.417	0.116

	C1	O2	N3	H4	H5	H6
C1		1.2144	1.3638	1.1026	2.0433	2.0598
O2	1.2144		2.2864	2.0359	2.5419	3.1643
N3	1.3638	2.2864		2.0527	1.0058	1.0033
H4	1.1026	2.0359	2.0527		2.9531	2.2983
H5	2.0433	2.5419	1.0058	2.9531		1.7300
H6	2.0598	3.1643	1.0033	2.2983	1.7300

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	118.376	C1	N3	H6	120.195
O2	C1	N3	124.858	O2	C1	H4	122.895
N3	C1	H4	112.231	H5	N3	H6	118.876

All results from a given calculation for CHONH2 (formamide)

using model chemistry: QCISD(T)/cc-pVTZ

States and conformations

Conformer 1 (Planar)

Conformer 2 (Non-Planar)

All results from a given calculation for CHONH₂ (formamide)