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State	Conformation	minimum conformation	conformer description	state description
1	1	no	Planar	¹A^'
1	2	yes	Non-Planar	¹A

	hartrees
Energy at 0K	-169.534254
Energy at 298.15K
HF Energy	-168.951737
Nuclear repulsion energy	71.379016

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3818	3610	52.68
2	A'	3675	3474	53.72
3	A'	3027	2862	79.16
4	A'	1867	1766	360.31
5	A'	1642	1552	67.65
6	A'	1460	1381	4.60
7	A'	1296	1226	110.64
8	A'	1073	1014	4.59
9	A'	569	538	12.01
10	A"	1086	1027	0.17
11	A"	645	610	15.07
12	A"	138i	130i	228.08

Atom	x (Å)	y (Å)
C1	0.000	0.418
O2	1.194	0.241
N3	-0.935	-0.567
H4	-0.458	1.422
H5	-0.635	-1.526
H6	-1.915	-0.359

	C1	O2	N3	H4	H5	H6
C1		1.2073	1.3584	1.1035	2.0452	2.0666
O2	1.2073		2.2771	2.0314	2.5430	3.1661
N3	1.3584	2.2771		2.0456	1.0043	1.0015
H4	1.1035	2.0314	2.0456		2.9532	2.3010
H5	2.0452	2.5430	1.0043	2.9532		1.7312
H6	2.0666	3.1661	1.0015	2.3010	1.7312

All results from a given calculation for CHONH₂ (formamide)

using model chemistry: CCSD/6-31G(2df,p)

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	119.149	C1	N3	H6	121.520
O2	C1	N3	125.026	O2	C1	H4	123.008
N3	C1	H4	111.965	H5	N3	H6	119.331

	hartrees
Energy at 0K	-169.534274
Energy at 298.15K	-169.537908
HF Energy	-168.951690
Nuclear repulsion energy	71.361137

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3808	3600	49.49
2	A	3667	3467	49.70
3	A	3027	2862	78.55
4	A	1868	1766	351.09
5	A	1643	1554	64.85
6	A	1460	1381	4.26
7	A	1296	1225	107.96
8	A	1090	1030	1.77
9	A	1072	1013	3.58
10	A	639	605	22.18
11	A	569	538	11.27
12	A	174	165	237.75

Atom	x (Å)	y (Å)	z (Å)
C1	0.163	0.386	0.001
O2	1.192	-0.245	0.005
N3	-1.084	-0.157	-0.031
H4	0.135	1.489	0.001
H5	-1.174	-1.154	0.065
H6	-1.895	0.414	0.109

	C1	O2	N3	H4	H5	H6
C1		1.2070	1.3606	1.1035	2.0399	2.0616
O2	1.2070		2.2782	2.0309	2.5353	3.1589
N3	1.3606	2.2782		2.0484	1.0051	1.0022
H4	1.1035	2.0309	2.0484		2.9494	2.2996
H5	2.0399	2.5353	1.0051	2.9494		1.7263
H6	2.0616	3.1589	1.0022	2.2996	1.7263

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	118.379	C1	N3	H6	120.754
O2	C1	N3	124.964	O2	C1	H4	122.979
N3	C1	H4	112.043	H5	N3	H6	118.642

All results from a given calculation for CHONH2 (formamide)

using model chemistry: CCSD/6-31G(2df,p)

States and conformations

Conformer 1 (Planar)

Conformer 2 (Non-Planar)

All results from a given calculation for CHONH₂ (formamide)