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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	-169.757400
Energy at 298.15K
HF Energy	-169.015991
Nuclear repulsion energy	71.728913

Atom	x (Å)	y (Å)
C1	0.000	0.417
O2	1.189	0.233
N3	-0.932	-0.560
H4	-0.442	1.421
H5	-0.639	-1.516
H6	-1.905	-0.344

	C1	O2	N3	H4	H5	H6
C1		1.2030	1.3506	1.0966	2.0360	2.0520
O2	1.2030		2.2642	2.0177	2.5294	3.1476
N3	1.3506	2.2642		2.0408	0.9999	0.9971
H4	1.0966	2.0177	2.0408		2.9435	2.2928
H5	2.0360	2.5294	0.9999	2.9435		1.7258
H6	2.0520	3.1476	0.9971	2.2928	1.7258

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.296	C1	N3	H6	121.126
O2	C1	N3	124.819	O2	C1	H4	122.589
N3	C1	H4	112.592	H5	N3	H6	119.577

All results from a given calculation for CHONH₂ (formamide)

using model chemistry: CCSD=FULL/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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Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3802	3802	53.42
2	A	3661	3661	51.63
3	A	3032	3032	75.22
4	A	1849	1849	423.14
5	A	1649	1649	64.51
6	A	1453	1453	5.21
7	A	1301	1301	120.72
8	A	1079	1079	5.81
9	A	1079	1079	1.68
10	A	641	641	15.02
11	A	580	580	12.12
12	A	146	146	216.23

Atom	x (Å)	y (Å)	z (Å)
C1	-0.161	0.385	-0.000
O2	-1.186	-0.245	0.000
N3	1.076	-0.157	-0.000
H4	-0.141	1.481	0.000
H5	1.175	-1.152	0.000
H6	1.891	0.418	0.001

	C1	O2	N3	H4	H5	H6
C1		1.2030	1.3505	1.0966	2.0360	2.0521
O2	1.2030		2.2640	2.0177	2.5291	3.1476
N3	1.3505	2.2640		2.0409	0.9999	0.9971
H4	1.0966	2.0177	2.0409		2.9436	2.2934
H5	2.0360	2.5291	0.9999	2.9436		1.7257
H6	2.0521	3.1476	0.9971	2.2934	1.7257

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.295	C1	N3	H6	121.144
O2	C1	N3	124.802	O2	C1	H4	122.587
N3	C1	H4	112.610	H5	N3	H6	119.561

All results from a given calculation for CHONH2 (formamide)

using model chemistry: CCSD=FULL/cc-pVQZ

States and conformations

Conformer 1 (Planar)

Conformer 2 (Non-Planar)

All results from a given calculation for CHONH₂ (formamide)