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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	-169.469501
Energy at 298.15K
HF Energy	-168.971916
Nuclear repulsion energy	71.094798

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3803	3614	42.88
2	A'	3657	3475	43.90
3	A'	3013	2863	113.36
4	A'	1833	1742	365.67
5	A'	1680	1596	56.79
6	A'	1441	1369	4.06
7	A'	1297	1233	107.85
8	A'	1074	1021	6.25
9	A'	570	542	10.97
10	A"	1050	998	2.46
11	A"	652	620	16.93
12	A"	232i	220i	289.89

Atom	x (Å)	y (Å)
C1	0.000	0.417
O2	1.200	0.245
N3	-0.940	-0.570
H4	-0.461	1.424
H5	-0.639	-1.530
H6	-1.923	-0.368

	C1	O2	N3	H4	H5	H6
C1		1.2128	1.3636	1.1074	2.0497	2.0772
O2	1.2128		2.2906	2.0376	2.5564	3.1832
N3	1.3636	2.2906		2.0511	1.0060	1.0037
H4	1.1074	2.0376	2.0511		2.9597	2.3124
H5	2.0497	2.5564	1.0060	2.9597		1.7323
H6	2.0772	3.1832	1.0037	2.3124	1.7323

All results from a given calculation for CHONH₂ (formamide)

using model chemistry: MP2/6-311G*

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	118.993	C1	N3	H6	121.932
O2	C1	N3	125.418	O2	C1	H4	122.788
N3	C1	H4	111.793	H5	N3	H6	119.075

	hartrees
Energy at 0K	-169.469596
Energy at 298.15K	-169.473414
HF Energy	-168.971793
Nuclear repulsion energy	71.065501

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3786	3598	37.26
2	A	3644	3463	37.63
3	A	3014	2864	111.38
4	A	1833	1742	346.67
5	A	1683	1599	55.12
6	A	1444	1372	3.78
7	A	1300	1235	103.05
8	A	1087	1033	8.59
9	A	1048	996	1.58
10	A	645	613	38.08
11	A	572	543	10.71
12	A	310	295	293.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.162	0.388	0.002
O2	1.198	-0.246	0.007
N3	-1.090	-0.158	-0.043
H4	0.137	1.493	-0.002
H5	-1.167	-1.153	0.087
H6	-1.895	0.409	0.155

	C1	O2	N3	H4	H5	H6
C1		1.2144	1.3662	1.1056	2.0369	2.0627
O2	1.2144		2.2898	2.0373	2.5345	3.1648
N3	1.3662	2.2898		2.0571	1.0067	1.0044
H4	1.1056	2.0373	2.0571		2.9515	2.3083
H5	2.0369	2.5345	1.0067	2.9515		1.7244
H6	2.0627	3.1648	1.0044	2.3083	1.7244

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	117.471	C1	N3	H6	120.178
O2	C1	N3	124.970	O2	C1	H4	122.764
N3	C1	H4	112.233	H5	N3	H6	118.063

All results from a given calculation for CHONH2 (formamide)

using model chemistry: MP2/6-311G*

States and conformations

Conformer 1 (Planar)

Conformer 2 (Non-Planar)

All results from a given calculation for CHONH₂ (formamide)