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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	-169.525688
Energy at 298.15K
HF Energy	-168.972061
Nuclear repulsion energy	71.142747

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3805	3603	43.24
2	A'	3659	3465	44.18
3	A'	3014	2854	113.47
4	A'	1838	1740	366.30
5	A'	1681	1592	58.15
6	A'	1442	1366	4.03
7	A'	1300	1231	107.26
8	A'	1076	1019	6.03
9	A'	571	541	10.99
10	A"	1053	997	2.36
11	A"	654	619	17.41
12	A"	216i	205i	289.80

Atom	x (Å)	y (Å)
C1	0.000	0.419
O2	1.200	0.236
N3	-0.941	-0.565
H4	-0.453	1.427
H5	-0.641	-1.524
H6	-1.922	-0.357

	C1	O2	N3	H4	H5	H6
C1		1.2139	1.3611	1.1054	2.0466	2.0727
O2	1.2139		2.2857	2.0374	2.5478	3.1779
N3	1.3611	2.2857		2.0509	1.0054	1.0029
H4	1.1054	2.0374	2.0509		2.9579	2.3114
H5	2.0466	2.5478	1.0054	2.9579		1.7328
H6	2.0727	3.1779	1.0029	2.3114	1.7328

All results from a given calculation for CHONH₂ (formamide)

using model chemistry: MP2=FULL/6-311G*

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	118.960	C1	N3	H6	121.773
O2	C1	N3	125.060	O2	C1	H4	122.845
N3	C1	H4	112.096	H5	N3	H6	119.267

	hartrees
Energy at 0K	-169.525763
Energy at 298.15K	-169.529563
HF Energy	-168.971948
Nuclear repulsion energy	71.115471

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3790	3589	38.23
2	A	3648	3455	38.58
3	A	3016	2856	111.44
4	A	1836	1739	349.48
5	A	1683	1594	56.32
6	A	1444	1368	3.79
7	A	1302	1233	103.10
8	A	1087	1030	7.99
9	A	1050	994	1.59
10	A	647	613	35.76
11	A	573	542	10.69
12	A	293	277	294.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.162	0.387	0.002
O2	1.197	-0.246	0.006
N3	-1.089	-0.158	-0.041
H4	0.136	1.492	-0.002
H5	-1.168	-1.154	0.082
H6	-1.896	0.409	0.146

	C1	O2	N3	H4	H5	H6
C1		1.2137	1.3644	1.1053	2.0367	2.0626
O2	1.2137		2.2879	2.0362	2.5346	3.1647
N3	1.3644	2.2879		2.0552	1.0063	1.0040
H4	1.1053	2.0362	2.0552		2.9509	2.3075
H5	2.0367	2.5346	1.0063	2.9509		1.7249
H6	2.0626	3.1647	1.0040	2.3075	1.7249

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	117.631	C1	N3	H6	120.360
O2	C1	N3	125.001	O2	C1	H4	122.747
N3	C1	H4	112.222	H5	N3	H6	118.191

All results from a given calculation for CHONH2 (formamide)

using model chemistry: MP2=FULL/6-311G*

States and conformations

Conformer 1 (Planar)

Conformer 2 (Non-Planar)

All results from a given calculation for CHONH₂ (formamide)