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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	-169.666947
Energy at 298.15K	-169.670418
HF Energy	-169.015684
Nuclear repulsion energy	71.578209

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3792	3604	52.73
2	A'	3650	3469	50.68
3	A'	3022	2872	75.46
4	A'	1840	1749	420.57
5	A'	1644	1563	62.92
6	A'	1447	1375	5.23
7	A'	1295	1231	121.68
8	A'	1075	1021	6.24
9	A'	576	548	12.04
10	A"	1073	1020	1.76
11	A"	638	607	14.02
12	A"	74	71	215.95

Atom	x (Å)	y (Å)
C1	0.000	0.418
O2	1.191	0.234
N3	-0.934	-0.562
H4	-0.444	1.424
H5	-0.639	-1.520
H6	-1.909	-0.346

	C1	O2	N3	H4	H5	H6
C1		1.2052	1.3539	1.0991	2.0405	2.0563
O2	1.2052		2.2689	2.0223	2.5344	3.1538
N3	1.3539	2.2689		2.0453	1.0018	0.9991
H4	1.0991	2.0223	2.0453		2.9497	2.2972
H5	2.0405	2.5344	1.0018	2.9497		1.7295
H6	2.0563	3.1538	0.9991	2.2972	1.7295

All results from a given calculation for CHONH₂ (formamide)

using model chemistry: CCSD/cc-pVQZ

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	119.283	C1	N3	H6	121.094
O2	C1	N3	124.796	O2	C1	H4	122.642
N3	C1	H4	112.562	H5	N3	H6	119.623

Atom	x (Å)	y (Å)	z (Å)
C1	0.162	0.386	0.000
O2	1.189	-0.245	0.000
N3	-1.078	-0.157	-0.001
H4	0.141	1.485	0.000
H5	-1.177	-1.154	0.002
H6	-1.894	0.420	0.003

	C1	O2	N3	H4	H5	H6
C1		1.2053	1.3538	1.0991	2.0403	2.0563
O2	1.2053		2.2687	2.0223	2.5338	3.1537
N3	1.3538	2.2687		2.0454	1.0018	0.9991
H4	1.0991	2.0223	2.0454		2.9497	2.2975
H5	2.0403	2.5338	1.0018	2.9497		1.7296
H6	2.0563	3.1537	0.9991	2.2975	1.7296

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.267	C1	N3	H6	121.102
O2	C1	N3	124.781	O2	C1	H4	122.638
N3	C1	H4	112.581	H5	N3	H6	119.630

All results from a given calculation for CHONH2 (formamide)

using model chemistry: CCSD/cc-pVQZ

States and conformations

Conformer 1 (Planar)

Conformer 2 (Non-Planar)

All results from a given calculation for CHONH₂ (formamide)