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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	-169.563582
Energy at 298.15K
HF Energy	-168.995791
Nuclear repulsion energy	71.177752

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3785	3606	55.41
2	A'	3635	3463	53.76
3	A'	3032	2888	97.65
4	A'	1804	1719	395.24
5	A'	1634	1557	57.44
6	A'	1454	1386	4.99
7	A'	1282	1221	116.92
8	A'	1059	1009	5.95
9	A'	573	546	9.92
10	A"	1039	990	4.22
11	A"	624	594	11.78
12	A"	308i	293i	256.98

Atom	x (Å)	y (Å)
C1	0.000	0.420
O2	1.201	0.229
N3	-0.941	-0.560
H4	-0.445	1.427
H5	-0.648	-1.522
H6	-1.921	-0.341

	C1	O2	N3	H4	H5	H6
C1		1.2156	1.3589	1.1004	2.0477	2.0661
O2	1.2156		2.2827	2.0350	2.5468	3.1730
N3	1.3589	2.2827		2.0475	1.0061	1.0036
H4	1.1004	2.0350	2.0475		2.9558	2.3026
H5	2.0477	2.5468	1.0061	2.9558		1.7364
H6	2.0661	3.1730	1.0036	2.3026	1.7364

All results from a given calculation for CHONH₂ (formamide)

using model chemistry: MP2=FULL/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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atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.206	C1	N3	H6	121.251
O2	C1	N3	124.823	O2	C1	H4	122.883
N3	C1	H4	112.293	H5	N3	H6	119.544

	hartrees
Energy at 0K	-169.563785
Energy at 298.15K	-169.567678
HF Energy	-168.995478
Nuclear repulsion energy	71.147861

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3765	3586	46.57
2	A	3621	3450	45.37
3	A	3034	2891	94.70
4	A	1804	1719	370.08
5	A	1635	1558	54.63
6	A	1457	1388	4.21
7	A	1285	1225	110.10
8	A	1077	1026	8.16
9	A	1043	993	2.41
10	A	623	594	40.16
11	A	573	546	11.04
12	A	385	367	260.39

Atom	x (Å)	y (Å)	z (Å)
C1	0.160	0.389	0.003
O2	1.196	-0.246	0.007
N3	-1.087	-0.159	-0.049
H4	0.135	1.489	-0.001
H5	-1.163	-1.153	0.100
H6	-1.885	0.411	0.172

	C1	O2	N3	H4	H5	H6
C1		1.2151	1.3633	1.1002	2.0340	2.0518
O2	1.2151		2.2856	2.0334	2.5291	3.1544
N3	1.3633	2.2856		2.0527	1.0074	1.0050
H4	1.1002	2.0334	2.0527		2.9453	2.2962
H5	2.0340	2.5291	1.0074	2.9453		1.7239
H6	2.0518	3.1544	1.0050	2.2962	1.7239

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	117.381	C1	N3	H6	119.305
O2	C1	N3	124.752	O2	C1	H4	122.780
N3	C1	H4	112.425	H5	N3	H6	117.878

All results from a given calculation for CHONH2 (formamide)

using model chemistry: MP2=FULL/TZVP

States and conformations

Conformer 1 (Planar)

Conformer 2 (Non-Planar)

All results from a given calculation for CHONH₂ (formamide)