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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	-169.723446
Energy at 298.15K
HF Energy	-169.564991
Nuclear repulsion energy	70.989847

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3754	3560	41.25
2	A'	3618	3431	39.37
3	A'	3014	2858	108.60
4	A'	1833	1739	344.22
5	A'	1652	1567	61.79
6	A'	1447	1372	5.39
7	A'	1294	1228	97.91
8	A'	1068	1012	3.23
9	A'	566	536	11.58
10	A"	1053	999	0.19
11	A"	655	621	19.94
12	A"	68i	64i	279.89

Atom	x (Å)	y (Å)
C1	0.000	0.421
O2	1.204	0.231
N3	-0.943	-0.560
H4	-0.451	1.430
H5	-0.647	-1.526
H6	-1.929	-0.350

	C1	O2	N3	H4	H5	H6
C1		1.2189	1.3613	1.1050	2.0514	2.0769
O2	1.2189		2.2884	2.0437	2.5518	3.1858
N3	1.3613	2.2884		2.0501	1.0095	1.0074
H4	1.1050	2.0437	2.0501		2.9618	2.3129
H5	2.0514	2.5518	1.0095	2.9618		1.7389
H6	2.0769	3.1858	1.0074	2.3129	1.7389

All results from a given calculation for CHONH₂ (formamide)

using model chemistry: B2PLYP=FULL/6-31G*

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	119.080	C1	N3	H6	121.802
O2	C1	N3	124.885	O2	C1	H4	123.077
N3	C1	H4	112.037	H5	N3	H6	119.117

	hartrees
Energy at 0K	-169.723448
Energy at 298.15K	-169.726955
HF Energy	-169.564979
Nuclear repulsion energy	70.986556

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3751	3558	40.55
2	A	3616	3429	38.63
3	A	3015	2859	108.13
4	A	1832	1738	342.19
5	A	1653	1568	60.97
6	A	1447	1372	5.29
7	A	1295	1228	97.40
8	A	1070	1015	3.23
9	A	1052	998	0.29
10	A	654	620	22.35
11	A	566	537	11.51
12	A	104	99	280.43

Atom	x (Å)	y (Å)	z (Å)
C1	0.160	0.389	0.001
O2	1.201	-0.246	0.002
N3	-1.086	-0.159	-0.016
H4	0.128	1.494	0.000
H5	-1.177	-1.163	0.033
H6	-1.915	0.410	0.057

	C1	O2	N3	H4	H5	H6
C1		1.2190	1.3616	1.1049	2.0493	2.0755
O2	1.2190		2.2886	2.0434	2.5488	3.1839
N3	1.3616	2.2886		2.0511	1.0097	1.0075
H4	1.1049	2.0434	2.0511		2.9607	2.3135
H5	2.0493	2.5488	1.0097	2.9607		1.7376
H6	2.0755	3.1839	1.0075	2.3135	1.7376

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	118.836	C1	N3	H6	121.629
O2	C1	N3	124.860	O2	C1	H4	123.032
N3	C1	H4	112.104	H5	N3	H6	118.946

All results from a given calculation for CHONH2 (formamide)

using model chemistry: B2PLYP=FULL/6-31G*

States and conformations

Conformer 1 (Planar)

Conformer 2 (Non-Planar)

All results from a given calculation for CHONH₂ (formamide)