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

	hartrees
Energy at 0K	-168.733239
Energy at 298.15K	-168.737241
HF Energy	-168.620813
Nuclear repulsion energy	70.284544

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3679	3502	29.20
2	A'	3544	3374	30.20
3	A'	2986	2842	114.93
4	A'	1744	1660	257.77
5	A'	1686	1605	28.01
6	A'	1458	1388	11.58
7	A'	1274	1213	100.59
8	A'	1066	1014	6.66
9	A'	569	542	9.95
10	A"	1089	1037	0.01
11	A"	671	639	121.38
12	A"	481	458	260.71

Atom	x (Å)	y (Å)
C1	0.000	0.421
O2	1.224	0.226
N3	-0.959	-0.557
H4	-0.457	1.423
H5	-0.675	-1.529
H6	-1.945	-0.334

	C1	O2	N3	H4	H5	H6
C1		1.2396	1.3701	1.1008	2.0637	2.0868
O2	1.2396		2.3197	2.0634	2.5859	3.2185
N3	1.3701	2.3197		2.0424	1.0129	1.0106
H4	1.1008	2.0634	2.0424		2.9598	2.3028
H5	2.0637	2.5859	1.0129	2.9598		1.7438
H6	2.0868	3.2185	1.0106	2.3028	1.7438

All results from a given calculation for CHONH₂ (formamide)

using model chemistry: B2PLYP=FULL/3-21G

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	119.239	C1	N3	H6	121.730
O2	C1	N3	125.392	O2	C1	H4	123.573
N3	C1	H4	111.034	H5	N3	H6	119.031

	hartrees
Energy at 0K	-168.733240
Energy at 298.15K	-168.737241
HF Energy	-168.620814
Nuclear repulsion energy	70.287456

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3679	3503	29.23
2	A	3544	3374	30.19
3	A	2985	2842	114.88
4	A	1744	1660	258.13
5	A	1686	1605	27.65
6	A	1458	1388	11.64
7	A	1275	1214	100.45
8	A	1090	1038	0.01
9	A	1066	1015	6.58
10	A	671	639	121.31
11	A	569	542	9.99
12	A	482	459	260.74

Atom	x (Å)	y (Å)	z (Å)
C1	-0.156	0.392	-0.000
O2	-1.221	-0.243	-0.000
N3	1.097	-0.162	0.000
H4	-0.102	1.491	0.001
H5	1.192	-1.171	0.000
H6	1.931	0.409	-0.000

	C1	O2	N3	H4	H5	H6
C1		1.2397	1.3699	1.1008	2.0633	2.0868
O2	1.2397		2.3194	2.0634	2.5852	3.2184
N3	1.3699	2.3194		2.0426	1.0129	1.0105
H4	1.1008	2.0634	2.0426		2.9598	2.3035
H5	2.0633	2.5852	1.0129	2.9598		1.7436
H6	2.0868	3.2184	1.0105	2.3035	1.7436

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.222	C1	N3	H6	121.755
O2	C1	N3	125.374	O2	C1	H4	123.563
N3	C1	H4	111.063	H5	N3	H6	119.023

All results from a given calculation for CHONH2 (formamide)

using model chemistry: B2PLYP=FULL/3-21G

States and conformations

Conformer 1 (Planar)

Conformer 2 (Non-Planar)

All results from a given calculation for CHONH₂ (formamide)