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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	-169.412942
Energy at 298.15K
HF Energy	-168.928296
Nuclear repulsion energy	70.901186

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3757	3578	43.91
2	A'	3624	3451	47.03
3	A'	3023	2878	97.10
4	A'	1842	1754	356.05
5	A'	1656	1577	69.03
6	A'	1452	1383	5.72
7	A'	1306	1244	109.65
8	A'	1077	1025	3.91
9	A'	569	542	12.68
10	A"	1057	1007	0.16
11	A"	643	613	20.91
12	A"	191i	182i	304.20

Atom	x (Å)	y (Å)
C1	0.000	0.420
O2	1.205	0.237
N3	-0.944	-0.566
H4	-0.454	1.433
H5	-0.646	-1.533
H6	-1.932	-0.359

	C1	O2	N3	H4	H5	H6
C1		1.2187	1.3652	1.1092	2.0573	2.0834
O2	1.2187		2.2939	2.0446	2.5608	3.1931
N3	1.3652	2.2939		2.0576	1.0119	1.0098
H4	1.1092	2.0446	2.0576		2.9717	2.3225
H5	2.0573	2.5608	1.0119	2.9717		1.7417
H6	2.0834	3.1931	1.0098	2.3225	1.7417

All results from a given calculation for CHONH₂ (formamide)

using model chemistry: QCISD/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	119.126	C1	N3	H6	121.902
O2	C1	N3	125.089	O2	C1	H4	122.809
N3	C1	H4	112.102	H5	N3	H6	118.972

	hartrees
Energy at 0K	-169.413005
Energy at 298.15K	-169.416752
HF Energy	-168.928174
Nuclear repulsion energy	70.866548

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3738	3560	38.05
2	A	3609	3437	40.02
3	A	3023	2878	95.62
4	A	1844	1756	338.08
5	A	1661	1582	64.54
6	A	1454	1384	5.01
7	A	1305	1243	105.41
8	A	1090	1038	5.00
9	A	1053	1003	0.45
10	A	634	604	39.34
11	A	568	541	12.43
12	A	266	253	309.91

Atom	x (Å)	y (Å)	z (Å)
C1	0.160	0.392	0.001
O2	1.200	-0.247	0.006
N3	-1.090	-0.159	-0.043
H4	0.137	1.498	0.000
H5	-1.166	-1.160	0.086
H6	-1.905	0.406	0.151

	C1	O2	N3	H4	H5	H6
C1		1.2207	1.3664	1.1067	2.0433	2.0703
O2	1.2207		2.2919	2.0435	2.5376	3.1761
N3	1.3664	2.2919		2.0624	1.0124	1.0104
H4	1.1067	2.0435	2.0624		2.9622	2.3209
H5	2.0433	2.5376	1.0124	2.9622		1.7326
H6	2.0703	3.1761	1.0104	2.3209	1.7326

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	117.635	C1	N3	H6	120.423
O2	C1	N3	124.635	O2	C1	H4	122.741
N3	C1	H4	112.598	H5	N3	H6	117.857

All results from a given calculation for CHONH2 (formamide)

using model chemistry: QCISD/6-31G*

States and conformations

Conformer 1 (Planar)

Conformer 2 (Non-Planar)

All results from a given calculation for CHONH₂ (formamide)