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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	-168.309388
Energy at 298.15K	-168.313333
HF Energy	-167.981488
Nuclear repulsion energy	69.941365

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3703	3536	33.12
2	A'	3563	3402	40.38
3	A'	3000	2865	115.64
4	A'	1738	1659	237.19
5	A'	1697	1620	19.55
6	A'	1476	1409	10.01
7	A'	1272	1214	108.92
8	A'	1062	1014	11.02
9	A'	572	546	8.94
10	A"	1089	1040	0.07
11	A"	650	621	98.80
12	A"	426	407	300.18

Atom	x (Å)	y (Å)
C1	0.000	0.423
O2	1.232	0.225
N3	-0.967	-0.558
H4	-0.451	1.428
H5	-0.686	-1.531
H6	-1.952	-0.331

	C1	O2	N3	H4	H5	H6
C1		1.2479	1.3774	1.1015	2.0712	2.0923
O2	1.2479		2.3344	2.0688	2.6010	3.2320
N3	1.3774	2.3344		2.0516	1.0128	1.0105
H4	1.1015	2.0688	2.0516		2.9683	2.3120
H5	2.0712	2.6010	1.0128	2.9683		1.7438
H6	2.0923	3.2320	1.0105	2.3120	1.7438

All results from a given calculation for CHONH₂ (formamide)

using model chemistry: MP2=FULL/3-21G

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	119.329	C1	N3	H6	121.624
O2	C1	N3	125.470	O2	C1	H4	123.302
N3	C1	H4	111.227	H5	N3	H6	119.048

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3703	3535	33.22
2	A	3563	3402	40.35
3	A	3000	2864	115.63
4	A	1738	1659	236.96
5	A	1697	1620	19.76
6	A	1475	1409	10.09
7	A	1273	1215	108.75
8	A	1089	1040	0.07
9	A	1063	1015	10.89
10	A	651	622	99.13
11	A	572	546	8.97
12	A	426	407	299.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.155	0.393	-0.000
O2	1.229	-0.244	0.000
N3	-1.104	-0.163	-0.000
H4	0.106	1.494	-0.000
H5	-1.201	-1.171	0.000
H6	-1.937	0.410	0.001

	C1	O2	N3	H4	H5	H6
C1		1.2480	1.3771	1.1015	2.0706	2.0922
O2	1.2480		2.3341	2.0689	2.6001	3.2320
N3	1.3771	2.3341		2.0516	1.0129	1.0105
H4	1.1015	2.0689	2.0516		2.9681	2.3124
H5	2.0706	2.6001	1.0129	2.9681		1.7440
H6	2.0922	3.2320	1.0105	2.3124	1.7440

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.289	C1	N3	H6	121.639
O2	C1	N3	125.461	O2	C1	H4	123.292
N3	C1	H4	111.247	H5	N3	H6	119.072

All results from a given calculation for CHONH2 (formamide)

using model chemistry: MP2=FULL/3-21G

States and conformations

Conformer 1 (Planar)

Conformer 2 (Non-Planar)

All results from a given calculation for CHONH₂ (formamide)