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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	-169.793071
Energy at 298.15K	-169.796539
HF Energy	-169.611473
Nuclear repulsion energy	71.193440

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3766	3766	30.73
2	A'	3626	3626	29.29
3	A'	2978	2978	124.52
4	A'	1820	1820	379.74
5	A'	1669	1669	56.88
6	A'	1436	1436	6.16
7	A'	1285	1285	103.60
8	A'	1070	1070	5.36
9	A'	570	570	11.51
10	A"	1048	1048	1.08
11	A"	657	657	19.71
12	A"	76	76	273.73

Atom	x (Å)	y (Å)
C1	0.000	0.419
O2	1.198	0.240
N3	-0.938	-0.567
H4	-0.457	1.425
H5	-0.640	-1.528
H6	-1.921	-0.361

	C1	O2	N3	H4	H5	H6
C1		1.2115	1.3609	1.1052	2.0486	2.0728
O2	1.2115		2.2842	2.0353	2.5503	3.1764
N3	1.3609	2.2842		2.0494	1.0060	1.0036
H4	1.1052	2.0353	2.0494		2.9582	2.3093
H5	2.0486	2.5503	1.0060	2.9582		1.7326
H6	2.0728	3.1764	1.0036	2.3093	1.7326

All results from a given calculation for CHONH₂ (formamide)

using model chemistry: B2PLYP=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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atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.130	C1	N3	H6	121.749
O2	C1	N3	125.136	O2	C1	H4	122.867
N3	C1	H4	111.997	H5	N3	H6	119.121

	hartrees
Energy at 0K	-169.793073
Energy at 298.15K	-169.796525
HF Energy	-169.611470
Nuclear repulsion energy	71.193490

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3766	3766	30.79
2	A	3627	3627	29.32
3	A	2980	2980	124.28
4	A	1819	1819	379.89
5	A	1669	1669	56.56
6	A	1436	1436	6.18
7	A	1286	1286	103.46
8	A	1070	1070	5.28
9	A	1048	1048	1.09
10	A	657	657	20.05
11	A	570	570	11.53
12	A	67	67	273.30

Atom	x (Å)	y (Å)	z (Å)
C1	-0.163	0.386	0.000
O2	-1.197	-0.245	0.000
N3	1.085	-0.157	-0.000
H4	-0.134	1.490	-0.000
H5	1.183	-1.158	0.000
H6	1.910	0.415	0.000

	C1	O2	N3	H4	H5	H6
C1		1.2117	1.3607	1.1050	2.0481	2.0728
O2	1.2117		2.2841	2.0350	2.5495	3.1765
N3	1.3607	2.2841		2.0497	1.0060	1.0036
H4	1.1050	2.0350	2.0497		2.9582	2.3101
H5	2.0481	2.5495	1.0060	2.9582		1.7327
H6	2.0728	3.1765	1.0036	2.3101	1.7327

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.095	C1	N3	H6	121.769
O2	C1	N3	125.123	O2	C1	H4	122.835
N3	C1	H4	112.042	H5	N3	H6	119.135

All results from a given calculation for CHONH2 (formamide)

using model chemistry: B2PLYP=FULL/6-311G*

States and conformations

Conformer 1 (Planar)

Conformer 2 (Non-Planar)

All results from a given calculation for CHONH₂ (formamide)