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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	-169.421166
Energy at 298.15K
HF Energy	-168.928724
Nuclear repulsion energy	71.020587

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3762	3573	45.92
2	A'	3629	3446	50.10
3	A'	3030	2877	93.25
4	A'	1866	1772	368.79
5	A'	1660	1576	75.13
6	A'	1460	1387	5.14
7	A'	1310	1245	112.28
8	A'	1083	1028	4.08
9	A'	572	544	12.83
10	A"	1065	1011	0.14
11	A"	644	612	21.63
12	A"	181i	172i	305.21

Atom	x (Å)	y (Å)
C1	0.000	0.421
O2	1.202	0.228
N3	-0.943	-0.559
H4	-0.443	1.435
H5	-0.646	-1.526
H6	-1.930	-0.349

	C1	O2	N3	H4	H5	H6
C1		1.2179	1.3605	1.1059	2.0513	2.0776
O2	1.2179		2.2854	2.0402	2.5480	3.1847
N3	1.3605	2.2854		2.0558	1.0109	1.0087
H4	1.1059	2.0402	2.0558		2.9673	2.3220
H5	2.0513	2.5480	1.0109	2.9673		1.7414
H6	2.0776	3.1847	1.0087	2.3220	1.7414

All results from a given calculation for CHONH₂ (formamide)

using model chemistry: CCSD=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	119.030	C1	N3	H6	121.839
O2	C1	N3	124.757	O2	C1	H4	122.723
N3	C1	H4	112.520	H5	N3	H6	119.131

	hartrees
Energy at 0K	-169.421218
Energy at 298.15K	-169.424954
HF Energy	-168.928607
Nuclear repulsion energy	70.989780

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3745	3557	40.38
2	A	3616	3435	43.27
3	A	3031	2879	91.66
4	A	1867	1773	351.56
5	A	1665	1581	70.23
6	A	1461	1388	4.60
7	A	1310	1244	108.15
8	A	1095	1040	4.73
9	A	1060	1007	0.52
10	A	636	604	38.44
11	A	572	543	12.67
12	A	253	240	311.54

Atom	x (Å)	y (Å)	z (Å)
C1	0.160	0.390	0.001
O2	1.198	-0.247	0.006
N3	-1.088	-0.158	-0.041
H4	0.139	1.496	-0.000
H5	-1.167	-1.160	0.082
H6	-1.903	0.407	0.145

	C1	O2	N3	H4	H5	H6
C1		1.2175	1.3640	1.1058	2.0423	2.0689
O2	1.2175		2.2876	2.0393	2.5357	3.1724
N3	1.3640	2.2876		2.0600	1.0120	1.0098
H4	1.1058	2.0393	2.0600		2.9606	2.3192
H5	2.0423	2.5357	1.0120	2.9606		1.7326
H6	2.0689	3.1724	1.0098	2.3192	1.7326

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	117.767	C1	N3	H6	120.543
O2	C1	N3	124.686	O2	C1	H4	122.674
N3	C1	H4	112.616	H5	N3	H6	117.958

All results from a given calculation for CHONH2 (formamide)

using model chemistry: CCSD=FULL/6-31G*

States and conformations

Conformer 1 (Planar)

Conformer 2 (Non-Planar)

All results from a given calculation for CHONH₂ (formamide)