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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	-169.629584
Energy at 298.15K
HF Energy	-169.005364
Nuclear repulsion energy	71.381722

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3776	3609	51.59
2	A'	3635	3475	49.04
3	A'	3021	2887	70.36
4	A'	1823	1743	443.60
5	A'	1642	1570	58.07
6	A'	1439	1375	5.23
7	A'	1288	1231	128.27
8	A'	1069	1021	6.50
9	A'	572	547	11.78
10	A"	1069	1022	2.54
11	A"	632	604	12.65
12	A"	66i	63i	215.83

Atom	x (Å)	y (Å)
C1	0.000	0.420
O2	1.195	0.232
N3	-0.937	-0.562
H4	-0.442	1.427
H5	-0.644	-1.522
H6	-1.914	-0.344

	C1	O2	N3	H4	H5	H6
C1		1.2097	1.3573	1.0997	2.0461	2.0608
O2	1.2097		2.2752	2.0266	2.5418	3.1621
N3	1.3573	2.2752		2.0495	1.0038	1.0012
H4	1.0997	2.0266	2.0495		2.9559	2.3025
H5	2.0461	2.5418	1.0038	2.9559		1.7325
H6	2.0608	3.1621	1.0012	2.3025	1.7325

All results from a given calculation for CHONH₂ (formamide)

using model chemistry: CCSD/aug-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	119.376	C1	N3	H6	121.061
O2	C1	N3	124.739	O2	C1	H4	122.623
N3	C1	H4	112.638	H5	N3	H6	119.562

	hartrees
Energy at 0K	-169.629585
Energy at 298.15K	-169.633079
HF Energy	-169.005346
Nuclear repulsion energy	71.379929

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3775	3608	51.03
2	A	3634	3473	48.30
3	A	3021	2888	70.20
4	A	1823	1742	441.45
5	A	1643	1570	57.41
6	A	1439	1375	5.13
7	A	1288	1231	127.64
8	A	1073	1025	4.95
9	A	1066	1018	4.13
10	A	631	603	14.27
11	A	572	547	11.56
12	A	91	87	217.82

Atom	x (Å)	y (Å)	z (Å)
C1	0.162	0.387	0.001
O2	1.192	-0.246	0.002
N3	-1.082	-0.158	-0.014
H4	0.142	1.487	0.001
H5	-1.179	-1.156	0.030
H6	-1.897	0.419	0.048

	C1	O2	N3	H4	H5	H6
C1		1.2097	1.3576	1.0997	2.0447	2.0597
O2	1.2097		2.2753	2.0264	2.5397	3.1606
N3	1.3576	2.2753		2.0502	1.0040	1.0013
H4	1.0997	2.0264	2.0502		2.9550	2.3026
H5	2.0447	2.5397	1.0040	2.9550		1.7315
H6	2.0597	3.1606	1.0013	2.3026	1.7315

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.199	C1	N3	H6	120.922
O2	C1	N3	124.718	O2	C1	H4	122.606
N3	C1	H4	112.673	H5	N3	H6	119.425

All results from a given calculation for CHONH2 (formamide)

using model chemistry: CCSD/aug-cc-pVTZ

States and conformations

Conformer 1 (Planar)

Conformer 2 (Non-Planar)

All results from a given calculation for CHONH₂ (formamide)