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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	-169.394457
Energy at 298.15K
HF Energy	-168.928001
Nuclear repulsion energy	70.839574

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3778	3562	55.54
2	A'	3636	3428	56.98
3	A'	3050	2876	100.39
4	A'	1838	1733	332.00
5	A'	1653	1559	66.02
6	A'	1455	1372	4.54
7	A'	1309	1234	100.12
8	A'	1072	1011	3.88
9	A'	566	534	11.39
10	A"	1055	995	0.79
11	A"	653	616	20.64
12	A"	137i	129i	301.66

Atom	x (Å)	y (Å)
C1	0.000	0.420
O2	1.208	0.235
N3	-0.946	-0.564
H4	-0.457	1.429
H5	-0.649	-1.531
H6	-1.933	-0.355

	C1	O2	N3	H4	H5	H6
C1		1.2215	1.3647	1.1077	2.0555	2.0828
O2	1.2215		2.2970	2.0480	2.5622	3.1958
N3	1.3647	2.2970		2.0521	1.0113	1.0091
H4	1.1077	2.0480	2.0521		2.9659	2.3159
H5	2.0555	2.5622	1.0113	2.9659		1.7411
H6	2.0828	3.1958	1.0091	2.3159	1.7411

All results from a given calculation for CHONH₂ (formamide)

using model chemistry: MP2/6-31G*

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	119.040	C1	N3	H6	121.941
O2	C1	N3	125.196	O2	C1	H4	123.028
N3	C1	H4	111.776	H5	N3	H6	119.019

	hartrees
Energy at 0K	-169.394473
Energy at 298.15K	-169.398121
HF Energy	-168.927956
Nuclear repulsion energy	70.827275

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3769	3555	52.39
2	A	3629	3422	53.26
3	A	3049	2875	99.65
4	A	1837	1733	323.56
5	A	1655	1561	64.09
6	A	1456	1373	4.13
7	A	1309	1234	99.32
8	A	1080	1018	4.19
9	A	1053	993	0.76
10	A	648	611	29.09
11	A	566	534	11.14
12	A	191	180	305.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.158	0.392	0.001
O2	1.203	-0.246	0.004
N3	-1.088	-0.160	-0.030
H4	0.129	1.497	-0.001
H5	-1.169	-1.164	0.060
H6	-1.913	0.405	0.106

	C1	O2	N3	H4	H5	H6
C1		1.2247	1.3635	1.1047	2.0460	2.0741
O2	1.2247		2.2933	2.0470	2.5441	3.1854
N3	1.3635	2.2933		2.0561	1.0113	1.0091
H4	1.1047	2.0470	2.0561		2.9611	2.3185
H5	2.0460	2.5441	1.0113	2.9611		1.7372
H6	2.0741	3.1854	1.0091	2.3185	1.7372

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	118.222	C1	N3	H6	121.175
O2	C1	N3	124.681	O2	C1	H4	122.909
N3	C1	H4	112.395	H5	N3	H6	118.597

All results from a given calculation for CHONH2 (formamide)

using model chemistry: MP2/6-31G*

States and conformations

Conformer 1 (Planar)

Conformer 2 (Non-Planar)

All results from a given calculation for CHONH₂ (formamide)