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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	-169.179443
Energy at 298.15K	-169.183395
HF Energy	-168.850816
Nuclear repulsion energy	69.744340

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3762	3599	38.60
2	A'	3613	3457	46.23
3	A'	3060	2927	95.76
4	A'	1731	1656	265.19
5	A'	1680	1608	53.70
6	A'	1445	1383	16.95
7	A'	1296	1240	109.15
8	A'	1074	1028	7.75
9	A'	564	540	10.79
10	A"	1033	989	1.48
11	A"	641	613	135.16
12	A"	459	439	311.56

Atom	x (Å)	y (Å)
C1	0.000	0.430
O2	1.238	0.198
N3	-0.976	-0.542
H4	-0.404	1.454
H5	-0.707	-1.517
H6	-1.958	-0.307

	C1	O2	N3	H4	H5	H6
C1		1.2594	1.3774	1.1011	2.0707	2.0916
O2	1.2594		2.3348	2.0671	2.5928	3.2353
N3	1.3774	2.3348		2.0763	1.0116	1.0091
H4	1.1011	2.0671	2.0763		2.9861	2.3480
H5	2.0707	2.5928	1.0116	2.9861		1.7407
H6	2.0916	3.2353	1.0091	2.3480	1.7407

All results from a given calculation for CHONH₂ (formamide)

using model chemistry: MP2/6-31G

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	119.383	C1	N3	H6	121.658
O2	C1	N3	124.561	O2	C1	H4	122.113
N3	C1	H4	113.326	H5	N3	H6	118.959

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3762	3599	38.62
2	A	3613	3457	46.23
3	A	3059	2927	95.82
4	A	1731	1656	265.16
5	A	1680	1608	53.79
6	A	1446	1383	16.99
7	A	1296	1240	109.08
8	A	1075	1028	7.72
9	A	1034	989	1.48
10	A	641	613	135.73
11	A	564	540	10.79
12	A	459	439	310.95

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	1.195	-1.172	0.000
H6	1.941	0.401	-0.000

	C1	O2	N3	H4	H5	H6
C1		1.2594	1.3773	1.1012	2.0705	2.0917
O2	1.2594		2.3349	2.0670	2.5927	3.2355
N3	1.3773	2.3349		2.0762	1.0116	1.0091
H4	1.1012	2.0670	2.0762		2.9860	2.3483
H5	2.0705	2.5927	1.0116	2.9860		1.7407
H6	2.0917	3.2355	1.0091	2.3483	1.7407

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.366	C1	N3	H6	121.683
O2	C1	N3	124.571	O2	C1	H4	122.103
N3	C1	H4	113.326	H5	N3	H6	118.951

All results from a given calculation for CHONH2 (formamide)

using model chemistry: MP2/6-31G

States and conformations

Conformer 1 (Planar)

Conformer 2 (Non-Planar)

All results from a given calculation for CHONH₂ (formamide)