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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	-169.659645
Energy at 298.15K	-169.663181
HF Energy	-169.002408
Nuclear repulsion energy	71.639561

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3803	3605	49.67
2	A'	3668	3478	48.80
3	A'	3032	2875	83.43
4	A'	1858	1761	401.92
5	A'	1659	1573	61.70
6	A'	1464	1388	5.63
7	A'	1302	1235	118.43
8	A'	1075	1019	4.99
9	A'	577	547	11.86
10	A"	1094	1037	1.18
11	A"	644	611	15.50
12	A"	105	99	216.86

Atom	x (Å)	y (Å)
C1	0.000	0.416
O2	1.191	0.236
N3	-0.933	-0.562
H4	-0.446	1.416
H5	-0.640	-1.519
H6	-1.908	-0.346

	C1	O2	N3	H4	H5	H6
C1		1.2047	1.3523	1.0950	2.0386	2.0543
O2	1.2047		2.2693	2.0186	2.5362	3.1527
N3	1.3523	2.2693		2.0377	1.0007	0.9979
H4	1.0950	2.0186	2.0377		2.9418	2.2895
H5	2.0386	2.5362	1.0007	2.9418		1.7268
H6	2.0543	3.1527	0.9979	2.2895	1.7268

All results from a given calculation for CHONH₂ (formamide)

using model chemistry: CCSD=FULL/cc-pVTZ

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	119.328	C1	N3	H6	121.132
O2	C1	N3	125.012	O2	C1	H4	122.678
N3	C1	H4	112.311	H5	N3	H6	119.540

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3803	3606	49.70
2	A	3668	3478	48.80
3	A	3032	2875	83.34
4	A	1858	1761	401.94
5	A	1659	1573	61.66
6	A	1464	1388	5.62
7	A	1302	1235	118.41
8	A	1093	1037	1.17
9	A	1075	1019	4.92
10	A	645	611	15.58
11	A	577	547	11.88
12	A	103	97	216.85

Atom	x (Å)	y (Å)	z (Å)
C1	-0.161	0.384	0.000
O2	-1.189	-0.244	0.000
N3	1.078	-0.157	-0.001
H4	-0.137	1.479	0.000
H5	1.178	-1.153	0.002
H6	1.893	0.419	0.003

	C1	O2	N3	H4	H5	H6
C1		1.2047	1.3522	1.0950	2.0383	2.0542
O2	1.2047		2.2690	2.0185	2.5355	3.1525
N3	1.3522	2.2690		2.0378	1.0007	0.9978
H4	1.0950	2.0185	2.0378		2.9417	2.2899
H5	2.0383	2.5355	1.0007	2.9417		1.7268
H6	2.0542	3.1525	0.9978	2.2899	1.7268

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.307	C1	N3	H6	121.144
O2	C1	N3	124.996	O2	C1	H4	122.671
N3	C1	H4	112.333	H5	N3	H6	119.547

All results from a given calculation for CHONH2 (formamide)

using model chemistry: CCSD=FULL/cc-pVTZ

States and conformations

Conformer 1 (Planar)

Conformer 2 (Non-Planar)

All results from a given calculation for CHONH₂ (formamide)