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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	-168.304141
Energy at 298.15K	-168.308085
HF Energy	-167.981462
Nuclear repulsion energy	69.934859

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3702	3534	33.05
2	A'	3563	3401	40.30
3	A'	3000	2864	115.82
4	A'	1737	1658	236.78
5	A'	1697	1620	19.88
6	A'	1475	1408	10.02
7	A'	1272	1214	108.95
8	A'	1062	1014	11.07
9	A'	572	546	8.94
10	A"	1089	1039	0.07
11	A"	650	620	98.09
12	A"	425	406	300.90

Atom	x (Å)	y (Å)
C1	0.000	0.423
O2	1.232	0.225
N3	-0.967	-0.558
H4	-0.452	1.428
H5	-0.686	-1.531
H6	-1.952	-0.331

	C1	O2	N3	H4	H5	H6
C1		1.2480	1.3775	1.1016	2.0714	2.0925
O2	1.2480		2.3346	2.0691	2.6013	3.2323
N3	1.3775	2.3346		2.0517	1.0129	1.0105
H4	1.1016	2.0691	2.0517		2.9685	2.3120
H5	2.0714	2.6013	1.0129	2.9685		1.7439
H6	2.0925	3.2323	1.0105	2.3120	1.7439

All results from a given calculation for CHONH₂ (formamide)

using model chemistry: MP2/3-21G

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	121.620
O2	C1	N3	125.472	O2	C1	H4	123.312
N3	C1	H4	111.217	H5	N3	H6	119.050

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3702	3534	33.15
2	A	3562	3400	40.27
3	A	3000	2863	115.81
4	A	1737	1658	236.54
5	A	1697	1619	20.11
6	A	1475	1408	10.10
7	A	1273	1215	108.78
8	A	1089	1039	0.08
9	A	1063	1014	10.94
10	A	651	621	98.44
11	A	572	546	8.97
12	A	425	406	300.53

Atom	x (Å)	y (Å)	z (Å)
C1	0.156	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		1.2481	1.3773	1.1016	2.0708	2.0924
O2	1.2481		2.3344	2.0691	2.6004	3.2322
N3	1.3773	2.3344		2.0518	1.0130	1.0105
H4	1.1016	2.0691	2.0518		2.9683	2.3124
H5	2.0708	2.6004	1.0130	2.9683		1.7442
H6	2.0924	3.2322	1.0105	2.3124	1.7442

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.290	C1	N3	H6	121.637
O2	C1	N3	125.462	O2	C1	H4	123.301
N3	C1	H4	111.237	H5	N3	H6	119.073

All results from a given calculation for CHONH2 (formamide)

using model chemistry: MP2/3-21G

States and conformations

Conformer 1 (Planar)

Conformer 2 (Non-Planar)

All results from a given calculation for CHONH₂ (formamide)