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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	-169.182957
Energy at 298.15K	-169.186911
HF Energy	-168.850845
Nuclear repulsion energy	69.750891

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3762	3574	38.66
2	A'	3614	3433	46.30
3	A'	3060	2907	95.66
4	A'	1731	1645	265.71
5	A'	1681	1597	53.31
6	A'	1446	1374	16.92
7	A'	1296	1231	109.11
8	A'	1074	1021	7.71
9	A'	564	536	10.78
10	A"	1034	982	1.46
11	A"	641	609	136.05
12	A"	460	437	310.66

Atom	x (Å)	y (Å)
C1	0.000	0.429
O2	1.238	0.198
N3	-0.976	-0.542
H4	-0.404	1.454
H5	-0.707	-1.517
H6	-1.958	-0.306

	C1	O2	N3	H4	H5	H6
C1		1.2593	1.3772	1.1010	2.0705	2.0914
O2	1.2593		2.3346	2.0668	2.5927	3.2350
N3	1.3772	2.3346		2.0761	1.0115	1.0090
H4	1.1010	2.0668	2.0761		2.9859	2.3478
H5	2.0705	2.5927	1.0115	2.9859		1.7406
H6	2.0914	3.2350	1.0090	2.3478	1.7406

All results from a given calculation for CHONH₂ (formamide)

using model chemistry: MP2=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	119.385	C1	N3	H6	121.659
O2	C1	N3	124.564	O2	C1	H4	122.106
N3	C1	H4	113.329	H5	N3	H6	118.956

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3762	3574	38.67
2	A	3613	3433	46.30
3	A	3059	2907	95.73
4	A	1731	1645	265.70
5	A	1681	1597	53.39
6	A	1446	1374	16.97
7	A	1296	1232	109.04
8	A	1074	1021	7.68
9	A	1034	982	1.47
10	A	641	609	136.61
11	A	564	536	10.79
12	A	460	437	310.07

Atom	x (Å)	y (Å)	z (Å)
C1	-0.151	0.402	-0.000
O2	-1.229	-0.250	-0.000
N3	1.105	-0.164	0.000
H4	-0.133	1.503	0.000
H5	1.194	-1.172	0.000
H6	1.941	0.401	-0.000

	C1	O2	N3	H4	H5	H6
C1		1.2593	1.3771	1.1011	2.0703	2.0915
O2	1.2593		2.3346	2.0668	2.5925	3.2352
N3	1.3771	2.3346		2.0760	1.0116	1.0091
H4	1.1011	2.0668	2.0760		2.9858	2.3481
H5	2.0703	2.5925	1.0116	2.9858		1.7406
H6	2.0915	3.2352	1.0091	2.3481	1.7406

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.368	C1	N3	H6	121.684
O2	C1	N3	124.574	O2	C1	H4	122.097
N3	C1	H4	113.330	H5	N3	H6	118.948

All results from a given calculation for CHONH2 (formamide)

using model chemistry: MP2=FULL/6-31G

States and conformations

Conformer 1 (Planar)

Conformer 2 (Non-Planar)

All results from a given calculation for CHONH₂ (formamide)