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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	-169.405636
Energy at 298.15K
HF Energy	-168.928937
Nuclear repulsion energy	71.073682

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3776	3574	48.75
2	A'	3643	3448	53.12
3	A'	3035	2873	91.19
4	A'	1886	1785	384.04
5	A'	1665	1576	81.80
6	A'	1466	1388	4.53
7	A'	1314	1244	118.99
8	A'	1088	1029	4.81
9	A'	576	545	12.96
10	A"	1068	1011	0.15
11	A"	641	607	21.71
12	A"	194i	184i	309.94

Atom	x (Å)	y (Å)
C1	0.000	0.420
O2	1.201	0.239
N3	-0.941	-0.567
H4	-0.452	1.432
H5	-0.642	-1.533
H6	-1.929	-0.361

	C1	O2	N3	H4	H5	H6
C1		1.2147	1.3633	1.1083	2.0553	2.0807
O2	1.2147		2.2884	2.0388	2.5564	3.1866
N3	1.3633	2.2884		2.0572	1.0111	1.0088
H4	1.1083	2.0388	2.0572		2.9704	2.3224
H5	2.0553	2.5564	1.0111	2.9704		1.7400
H6	2.0807	3.1866	1.0088	2.3224	1.7400

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	119.164	C1	N3	H6	121.889
O2	C1	N3	125.074	O2	C1	H4	122.658
N3	C1	H4	112.268	H5	N3	H6	118.947

	hartrees
Energy at 0K	-169.405704
Energy at 298.15K	-169.409460
HF Energy	-168.928800
Nuclear repulsion energy	71.036123

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3757	3556	42.18
2	A	3628	3434	45.10
3	A	3036	2874	89.57
4	A	1888	1787	363.00
5	A	1670	1581	75.56
6	A	1467	1389	4.06
7	A	1313	1243	113.95
8	A	1101	1042	5.56
9	A	1063	1007	0.64
10	A	633	599	40.99
11	A	575	544	13.18
12	A	267	253	317.48

Atom	x (Å)	y (Å)	z (Å)
C1	0.161	0.390	0.001
O2	1.196	-0.248	0.007
N3	-1.088	-0.158	-0.043
H4	0.143	1.496	-0.000
H5	-1.167	-1.158	0.086
H6	-1.900	0.408	0.154

	C1	O2	N3	H4	H5	H6
C1		1.2153	1.3647	1.1060	2.0415	2.0674
O2	1.2153		2.2863	2.0368	2.5339	3.1685
N3	1.3647	2.2863		2.0616	1.0115	1.0093
H4	1.1060	2.0368	2.0616		2.9605	2.3197
H5	2.0415	2.5339	1.0115	2.9605		1.7302
H6	2.0674	3.1685	1.0093	2.3197	1.7302

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	117.669	C1	N3	H6	120.376
O2	C1	N3	124.689	O2	C1	H4	122.598
N3	C1	H4	112.686	H5	N3	H6	117.772

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)