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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	-169.737558
Energy at 298.15K	-169.741087
HF Energy	-169.573889
Nuclear repulsion energy	71.044899

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3791	3791	43.22
2	A'	3643	3643	39.69
3	A'	3008	3008	106.59
4	A'	1832	1832	340.86
5	A'	1641	1641	62.29
6	A'	1445	1445	5.34
7	A'	1289	1289	96.46
8	A'	1063	1063	2.95
9	A'	564	564	11.61
10	A"	1056	1056	0.19
11	A"	653	653	20.53
12	A"	115	115	260.37

Atom	x (Å)	y (Å)
C1	0.000	0.421
O2	1.204	0.229
N3	-0.944	-0.559
H4	-0.450	1.429
H5	-0.647	-1.521
H6	-1.925	-0.346

	C1	O2	N3	H4	H5	H6
C1		1.2188	1.3606	1.1040	2.0468	2.0722
O2	1.2188		2.2873	2.0434	2.5467	3.1811
N3	1.3606	2.2873		2.0484	1.0066	1.0044
H4	1.1040	2.0434	2.0484		2.9564	2.3074
H5	2.0468	2.5467	1.0066	2.9564		1.7367
H6	2.0722	3.1811	1.0044	2.3074	1.7367

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	118.923	C1	N3	H6	121.640
O2	C1	N3	124.849	O2	C1	H4	123.140
N3	C1	H4	112.011	H5	N3	H6	119.437

	hartrees
Energy at 0K	-169.737559
Energy at 298.15K	-169.741077
HF Energy	-169.573885
Nuclear repulsion energy	71.046299

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3791	3791	43.33
2	A	3642	3642	39.70
3	A	3009	3009	106.37
4	A	1831	1831	340.88
5	A	1641	1641	62.11
6	A	1444	1444	5.35
7	A	1290	1290	96.24
8	A	1063	1063	2.90
9	A	1056	1056	0.20
10	A	653	653	20.89
11	A	564	564	11.66
12	A	108	108	259.99

Atom	x (Å)	y (Å)	z (Å)
C1	0.159	0.389	0.000
O2	1.200	-0.245	0.000
N3	-1.085	-0.160	-0.000
H4	0.126	1.493	-0.000
H5	-1.174	-1.162	0.000
H6	-1.913	0.410	0.001

	C1	O2	N3	H4	H5	H6
C1		1.2191	1.3604	1.1039	2.0459	2.0722
O2	1.2191		2.2871	2.0431	2.5452	3.1811
N3	1.3604	2.2871		2.0488	1.0067	1.0044
H4	1.1039	2.0431	2.0488		2.9563	2.3085
H5	2.0459	2.5452	1.0067	2.9563		1.7370
H6	2.0722	3.1811	1.0044	2.3085	1.7370

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	118.858	C1	N3	H6	121.665
O2	C1	N3	124.828	O2	C1	H4	123.102
N3	C1	H4	112.070	H5	N3	H6	119.477

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)