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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	-169.590302
Energy at 298.15K
HF Energy	-168.979450
Nuclear repulsion energy	70.878015

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3770	3625
2	A'	3627	3488
3	A'	2959	2845
4	A'	1794	1725
5	A'	1623	1560
6	A'	1420	1365
7	A'	1271	1222
8	A'	1045	1004
9	A'	558	536
10	A"	1042	1002
11	A"	640	615
12	A"	297i	285i

Atom	x (Å)	y (Å)
C1	0.000	0.421
O2	1.205	0.240
N3	-0.943	-0.569
H4	-0.465	1.429
H5	-0.642	-1.531
H6	-1.926	-0.356

	C1	O2	N3	H4	H5	H6
C1		1.2181	1.3672	1.1100	2.0549	2.0772
O2	1.2181		2.2948	2.0498	2.5586	3.1870
N3	1.3672	2.2948		2.0540	1.0081	1.0058
H4	1.1100	2.0498	2.0540		2.9651	2.3069
H5	2.0549	2.5586	1.0081	2.9651		1.7401
H6	2.0772	3.1870	1.0058	2.3069	1.7401

All results from a given calculation for CHONH₂ (formamide)

using model chemistry: MP4=FULL/6-311G**

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	119.020	C1	N3	H6	121.426
O2	C1	N3	125.062	O2	C1	H4	123.328
N3	C1	H4	111.610	H5	N3	H6	119.554

	hartrees
Energy at 0K	-169.590580
Energy at 298.15K	-169.594456
HF Energy	-168.979117
Nuclear repulsion energy	70.821870

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3738	3594
2	A	3604	3465
3	A	2963	2849
4	A	1794	1725
5	A	1626	1563
6	A	1422	1368
7	A	1273	1224
8	A	1068	1027
9	A	1031	992
10	A	626	602
11	A	560	538
12	A	382	367

Atom	x (Å)	y (Å)	z (Å)
C1	0.163	0.389	0.002
O2	1.201	-0.246	0.009
N3	-1.096	-0.160	-0.058
H4	0.128	1.498	-0.001
H5	-1.163	-1.152	0.117
H6	-1.884	0.409	0.207

	C1	O2	N3	H4	H5	H6
C1		1.2172	1.3746	1.1096	2.0367	2.0580
O2	1.2172		2.2993	2.0483	2.5338	3.1607
N3	1.3746	2.2993		2.0617	1.0100	1.0080
H4	1.1096	2.0483	2.0617		2.9508	2.2980
H5	2.0367	2.5338	1.0100	2.9508		1.7227
H6	2.0580	3.1607	1.0080	2.2980	1.7227

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	116.487	C1	N3	H6	118.675
O2	C1	N3	124.925	O2	C1	H4	123.290
N3	C1	H4	111.735	H5	N3	H6	117.218

All results from a given calculation for CHONH2 (formamide)

using model chemistry: MP4=FULL/6-311G**

States and conformations

Conformer 1 (Planar)

Conformer 2 (Non-Planar)

All results from a given calculation for CHONH₂ (formamide)