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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	-169.432757
Energy at 298.15K
HF Energy	-168.939136
Nuclear repulsion energy	71.184893

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3860	3619	49.00
2	A'	3715	3483	52.47
3	A'	3071	2880	94.73
4	A'	1892	1774	384.09
5	A'	1677	1573	72.73
6	A'	1478	1386	4.46
7	A'	1312	1230	119.56
8	A'	1088	1020	4.89
9	A'	575	540	13.03
10	A"	1078	1010	0.05
11	A"	640	600	21.12
12	A"	153i	144i	285.17

Atom	x (Å)	y (Å)
C1	0.000	0.421
O2	1.200	0.231
N3	-0.942	-0.561
H4	-0.445	1.427
H5	-0.645	-1.520
H6	-1.921	-0.349

	C1	O2	N3	H4	H5	H6
C1		1.2150	1.3603	1.1004	2.0451	2.0693
O2	1.2150		2.2832	2.0340	2.5432	3.1741
N3	1.3603	2.2832		2.0495	1.0039	1.0017
H4	1.1004	2.0340	2.0495		2.9542	2.3099
H5	2.0451	2.5432	1.0039	2.9542		1.7315
H6	2.0693	3.1741	1.0017	2.3099	1.7315

All results from a given calculation for CHONH₂ (formamide)

using model chemistry: CCD/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	119.003	C1	N3	H6	121.609
O2	C1	N3	124.797	O2	C1	H4	122.832
N3	C1	H4	112.371	H5	N3	H6	119.388

	hartrees
Energy at 0K	-169.432785
Energy at 298.15K	-169.436478
HF Energy	-168.939019
Nuclear repulsion energy	71.171376

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3848	3608	44.42
2	A	3706	3475	47.09
3	A	3072	2880	93.56
4	A	1893	1775	370.67
5	A	1679	1574	69.20
6	A	1478	1386	4.13
7	A	1312	1231	115.93
8	A	1098	1029	4.73
9	A	1073	1006	0.87
10	A	634	594	32.99
11	A	574	539	12.68
12	A	214	201	291.95

Atom	x (Å)	y (Å)	z (Å)
C1	0.161	0.389	0.001
O2	1.196	-0.246	0.005
N3	-1.086	-0.158	-0.035
H4	0.137	1.489	-0.000
H5	-1.169	-1.154	0.070
H6	-1.898	0.408	0.124

	C1	O2	N3	H4	H5	H6
C1		1.2147	1.3625	1.1004	2.0383	2.0628
O2	1.2147		2.2842	2.0334	2.5339	3.1648
N3	1.3625	2.2842		2.0523	1.0047	1.0024
H4	1.1004	2.0334	2.0523		2.9492	2.3082
H5	2.0383	2.5339	1.0047	2.9492		1.7243
H6	2.0628	3.1648	1.0024	2.3082	1.7243

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	118.089	C1	N3	H6	120.689
O2	C1	N3	124.732	O2	C1	H4	122.801
N3	C1	H4	112.449	H5	N3	H6	118.434

All results from a given calculation for CHONH2 (formamide)

using model chemistry: CCD/6-31G**

States and conformations

Conformer 1 (Planar)

Conformer 2 (Non-Planar)

All results from a given calculation for CHONH₂ (formamide)