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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	-169.680342
Energy at 298.15K	-169.683865
HF Energy	-169.005907
Nuclear repulsion energy	71.615620

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3788	3602	52.06
2	A'	3656	3477	48.59
3	A'	3032	2883	70.94
4	A'	1839	1749	449.25
5	A'	1654	1573	57.90
6	A'	1447	1376	5.22
7	A'	1293	1230	129.74
8	A'	1068	1016	4.88
9	A'	572	544	11.74
10	A"	1087	1034	2.40
11	A"	635	604	13.88
12	A"	103	98	215.80

Atom	x (Å)	y (Å)
C1	0.000	0.417
O2	1.191	0.233
N3	-0.934	-0.561
H4	-0.443	1.419
H5	-0.642	-1.519
H6	-1.909	-0.344

	C1	O2	N3	H4	H5	H6
C1		1.2055	1.3527	1.0950	2.0395	2.0549
O2	1.2055		2.2689	2.0191	2.5355	3.1532
N3	1.3527	2.2689		2.0398	1.0011	0.9986
H4	1.0950	2.0191	2.0398		2.9440	2.2923
H5	2.0395	2.5355	1.0011	2.9440		1.7277
H6	2.0549	3.1532	0.9986	2.2923	1.7277

All results from a given calculation for CHONH₂ (formamide)

using model chemistry: CCSD=FULL/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	119.357	C1	N3	H6	121.104
O2	C1	N3	124.878	O2	C1	H4	122.658
N3	C1	H4	112.464	H5	N3	H6	119.539

	hartrees
Energy at 0K	-169.680343
Energy at 298.15K	-169.683865
HF Energy	-169.005907
Nuclear repulsion energy	71.617971

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3788	3602	52.07
2	A	3656	3477	48.63
3	A	3032	2883	70.87
4	A	1838	1748	449.41
5	A	1654	1573	57.82
6	A	1447	1376	5.20
7	A	1293	1230	129.66
8	A	1087	1034	2.40
9	A	1068	1016	4.83
10	A	636	604	13.97
11	A	572	544	11.74
12	A	103	98	215.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.161	0.385	-0.000
O2	1.189	-0.245	0.000
N3	-1.078	-0.157	-0.000
H4	0.139	1.480	0.000
H5	-1.177	-1.153	0.000
H6	-1.894	0.419	0.000

	C1	O2	N3	H4	H5	H6
C1		1.2056	1.3525	1.0950	2.0392	2.0549
O2	1.2056		2.2687	2.0191	2.5348	3.1532
N3	1.3525	2.2687		2.0400	1.0011	0.9985
H4	1.0950	2.0191	2.0400		2.9440	2.2929
H5	2.0392	2.5348	1.0011	2.9440		1.7277
H6	2.0549	3.1532	0.9985	2.2929	1.7277

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.338	C1	N3	H6	121.121
O2	C1	N3	124.862	O2	C1	H4	122.648
N3	C1	H4	112.490	H5	N3	H6	119.541

All results from a given calculation for CHONH2 (formamide)

using model chemistry: CCSD=FULL/aug-cc-pVTZ

States and conformations

Conformer 1 (Planar)

Conformer 2 (Non-Planar)

All results from a given calculation for CHONH₂ (formamide)