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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	-168.281825
Energy at 298.15K	-168.285817
HF Energy	-167.983694
Nuclear repulsion energy	70.571335

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3757	3500	35.85
2	A'	3627	3379	41.52
3	A'	3044	2836	95.20
4	A'	1814	1690	291.17
5	A'	1737	1618	49.07
6	A'	1503	1401	8.56
7	A'	1299	1210	136.49
8	A'	1099	1023	12.00
9	A'	589	549	11.82
10	A"	1117	1040	0.49
11	A"	652	607	138.45
12	A"	452	421	290.20

Atom	x (Å)	y (Å)
C1	0.000	0.420
O2	1.216	0.233
N3	-0.954	-0.562
H4	-0.448	1.423
H5	-0.669	-1.529
H6	-1.936	-0.345

	C1	O2	N3	H4	H5	H6
C1		1.2305	1.3687	1.0982	2.0607	2.0817
O2	1.2305		2.3106	2.0461	2.5799	3.2046
N3	1.3687	2.3106		2.0477	1.0086	1.0061
H4	1.0982	2.0461	2.0477		2.9600	2.3103
H5	2.0607	2.5799	1.0086	2.9600		1.7347
H6	2.0817	3.2046	1.0061	2.3103	1.7347

All results from a given calculation for CHONH₂ (formamide)

using model chemistry: CID/3-21G

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	119.418	C1	N3	H6	121.718
O2	C1	N3	125.403	O2	C1	H4	122.853
N3	C1	H4	111.744	H5	N3	H6	118.864

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3757	3500	35.89
2	A	3627	3379	41.53
3	A	3044	2836	95.17
4	A	1814	1690	291.59
5	A	1737	1618	48.64
6	A	1503	1401	8.62
7	A	1299	1210	136.48
8	A	1117	1040	0.49
9	A	1099	1024	11.89
10	A	652	608	139.01
11	A	589	549	11.82
12	A	452	421	289.60

Atom	x (Å)	y (Å)	z (Å)
C1	-0.159	0.389	-0.000
O2	-1.214	-0.244	0.000
N3	1.095	-0.159	-0.000
H4	-0.123	1.487	-0.000
H5	1.197	-1.163	-0.000
H6	1.923	0.413	0.001

	C1	O2	N3	H4	H5	H6
C1		1.2306	1.3685	1.0982	2.0605	2.0817
O2	1.2306		2.3105	2.0461	2.5797	3.2047
N3	1.3685	2.3105		2.0477	1.0086	1.0061
H4	1.0982	2.0461	2.0477		2.9600	2.3107
H5	2.0605	2.5797	1.0086	2.9600		1.7346
H6	2.0817	3.2047	1.0061	2.3107	1.7346

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.406	C1	N3	H6	121.740
O2	C1	N3	125.403	O2	C1	H4	122.843
N3	C1	H4	111.754	H5	N3	H6	118.854

All results from a given calculation for CHONH2 (formamide)

using model chemistry: CID/3-21G

States and conformations

Conformer 1 (Planar)

Conformer 2 (Non-Planar)

All results from a given calculation for CHONH₂ (formamide)