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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	-169.405380
Energy at 298.15K
HF Energy	-168.928186
Nuclear repulsion energy	70.891416

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3778	3560	55.64
2	A'	3636	3426	57.07
3	A'	3048	2872	101.03
4	A'	1843	1736	332.50
5	A'	1654	1558	67.34
6	A'	1456	1372	4.36
7	A'	1310	1234	99.99
8	A'	1074	1012	3.88
9	A'	567	534	11.38
10	A"	1058	997	0.73
11	A"	655	617	21.07
12	A"	115i	109i	301.36

Atom	x (Å)	y (Å)
C1	0.000	0.422
O2	1.207	0.223
N3	-0.947	-0.555
H4	-0.442	1.434
H5	-0.653	-1.522
H6	-1.933	-0.341

	C1	O2	N3	H4	H5	H6
C1		1.2236	1.3606	1.1046	2.0503	2.0776
O2	1.2236		2.2907	2.0464	2.5505	3.1902
N3	1.3606	2.2907		2.0521	1.0106	1.0084
H4	1.1046	2.0464	2.0521		2.9633	2.3176
H5	2.0503	2.5505	1.0106	2.9633		1.7413
H6	2.0776	3.1902	1.0084	2.3176	1.7413

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	118.949	C1	N3	H6	121.860
O2	C1	N3	124.769	O2	C1	H4	122.951
N3	C1	H4	112.279	H5	N3	H6	119.190

	hartrees
Energy at 0K	-169.405387
Energy at 298.15K	-169.409067
HF Energy	-168.928124
Nuclear repulsion energy	70.878667

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3770	3552	52.26
2	A	3630	3420	53.13
3	A	3048	2872	99.92
4	A	1841	1735	323.64
5	A	1657	1561	64.94
6	A	1457	1373	3.95
7	A	1310	1235	98.86
8	A	1082	1019	4.09
9	A	1055	994	0.74
10	A	649	612	30.37
11	A	567	534	11.16
12	A	212	200	304.96

Atom	x (Å)	y (Å)	z (Å)
C1	0.158	0.392	0.001
O2	1.202	-0.246	0.005
N3	-1.088	-0.160	-0.031
H4	0.129	1.496	-0.001
H5	-1.168	-1.163	0.062
H6	-1.912	0.405	0.110

	C1	O2	N3	H4	H5	H6
C1		1.2236	1.3623	1.1046	2.0447	2.0722
O2	1.2236		2.2916	2.0458	2.5426	3.1827
N3	1.3623	2.2916		2.0547	1.0112	1.0089
H4	1.1046	2.0458	2.0547		2.9595	2.3165
H5	2.0447	2.5426	1.0112	2.9595		1.7362
H6	2.0722	3.1827	1.0089	2.3165	1.7362

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	118.207	C1	N3	H6	121.113
O2	C1	N3	124.708	O2	C1	H4	122.896
N3	C1	H4	112.380	H5	N3	H6	118.510

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)