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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	-169.529499
Energy at 298.15K
HF Energy	-168.952005
Nuclear repulsion energy	71.478144

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3830	3627	55.82
2	A'	3686	3492	56.82
3	A'	3032	2872	77.50
4	A'	1891	1791	375.23
5	A'	1648	1561	73.42
6	A'	1467	1390	4.04
7	A'	1300	1232	116.40
8	A'	1078	1022	5.12
9	A'	573	543	12.18
10	A"	1092	1035	0.14
11	A"	645	611	15.69
12	A"	124i	117i	230.67

Atom	x (Å)	y (Å)
C1	0.000	0.418
O2	1.191	0.242
N3	-0.933	-0.568
H4	-0.459	1.421
H5	-0.633	-1.526
H6	-1.912	-0.363

	C1	O2	N3	H4	H5	H6
C1		1.2042	1.3574	1.1035	2.0446	2.0652
O2	1.2042		2.2735	2.0283	2.5408	3.1618
N3	1.3574	2.2735		2.0454	1.0039	1.0008
H4	1.1035	2.0283	2.0454		2.9529	2.3009
H5	2.0446	2.5408	1.0039	2.9529		1.7295
H6	2.0652	3.1618	1.0008	2.3009	1.7295

All results from a given calculation for CHONH₂ (formamide)

using model chemistry: CCD/6-31G(2df,p)

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	119.217	C1	N3	H6	121.534
O2	C1	N3	125.019	O2	C1	H4	122.959
N3	C1	H4	112.022	H5	N3	H6	119.249

	hartrees
Energy at 0K	-169.529515
Energy at 298.15K	-169.533158
HF Energy	-168.951956
Nuclear repulsion energy	71.456061

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3820	3618	52.63
2	A	3679	3485	52.65
3	A	3034	2873	76.88
4	A	1891	1791	365.50
5	A	1649	1562	70.27
6	A	1467	1390	3.79
7	A	1300	1231	113.43
8	A	1096	1038	1.76
9	A	1078	1021	4.09
10	A	639	605	22.68
11	A	573	542	11.40
12	A	178	168	241.12

Atom	x (Å)	y (Å)	z (Å)
C1	0.164	0.385	0.001
O2	1.190	-0.245	0.005
N3	-1.083	-0.156	-0.031
H4	0.138	1.488	0.001
H5	-1.175	-1.152	0.064
H6	-1.893	0.415	0.108

	C1	O2	N3	H4	H5	H6
C1		1.2041	1.3596	1.1034	2.0391	2.0601
O2	1.2041		2.2751	2.0275	2.5336	3.1550
N3	1.3596	2.2751		2.0479	1.0045	1.0015
H4	1.1034	2.0275	2.0479		2.9488	2.2990
H5	2.0391	2.5336	1.0045	2.9488		1.7249
H6	2.0601	3.1550	1.0015	2.2990	1.7249

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	118.434	C1	N3	H6	120.760
O2	C1	N3	124.998	O2	C1	H4	122.907
N3	C1	H4	112.083	H5	N3	H6	118.605

All results from a given calculation for CHONH2 (formamide)

using model chemistry: CCD/6-31G(2df,p)

States and conformations

Conformer 1 (Planar)

Conformer 2 (Non-Planar)

All results from a given calculation for CHONH₂ (formamide)