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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	-169.494388
Energy at 298.15K
HF Energy	-168.980203
Nuclear repulsion energy	71.087784

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3796	3607	49.74
2	A'	3649	3467	48.97
3	A'	3005	2855	112.80
4	A'	1832	1740	351.48
5	A'	1629	1548	62.03
6	A'	1442	1370	3.53
7	A'	1284	1220	106.67
8	A'	1057	1004	4.41
9	A'	565	537	11.04
10	A"	1059	1006	1.84
11	A"	644	612	13.59
12	A"	262i	249i	245.20

Atom	x (Å)	y (Å)
C1	0.000	0.420
O2	1.200	0.239
N3	-0.940	-0.568
H4	-0.462	1.425
H5	-0.637	-1.528
H6	-1.922	-0.357

	C1	O2	N3	H4	H5	H6
C1		1.2137	1.3636	1.1061	2.0500	2.0734
O2	1.2137		2.2871	2.0419	2.5495	3.1786
N3	1.3636	2.2871		2.0495	1.0069	1.0044
H4	1.1061	2.0419	2.0495		2.9586	2.3042
H5	2.0500	2.5495	1.0069	2.9586		1.7380
H6	2.0734	3.1786	1.0044	2.3042	1.7380

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	118.948	C1	N3	H6	121.481
O2	C1	N3	124.988	O2	C1	H4	123.269
N3	C1	H4	111.742	H5	N3	H6	119.571

	hartrees
Energy at 0K	-169.494553
Energy at 298.15K	-169.498406
HF Energy	-168.979988
Nuclear repulsion energy	71.049328

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3773	3585	41.22
2	A	3631	3451	39.91
3	A	3007	2857	109.95
4	A	1830	1739	328.78
5	A	1630	1549	57.76
6	A	1444	1372	2.83
7	A	1286	1222	101.29
8	A	1078	1024	6.07
9	A	1049	996	2.04
10	A	635	603	39.27
11	A	567	538	10.69
12	A	345	328	253.74

Atom	x (Å)	y (Å)	z (Å)
C1	0.163	0.388	0.002
O2	1.197	-0.246	0.008
N3	-1.091	-0.159	-0.050
H4	0.131	1.493	-0.001
H5	-1.163	-1.153	0.102
H6	-1.887	0.411	0.180

	C1	O2	N3	H4	H5	H6
C1		1.2132	1.3687	1.1059	2.0356	2.0579
O2	1.2132		2.2904	2.0403	2.5307	3.1584
N3	1.3687	2.2904		2.0555	1.0084	1.0060
H4	1.1059	2.0403	2.0555		2.9478	2.2971
H5	2.0356	2.5307	1.0084	2.9478		1.7252
H6	2.0579	3.1584	1.0060	2.2971	1.7252

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	117.011	C1	N3	H6	119.347
O2	C1	N3	124.917	O2	C1	H4	123.157
N3	C1	H4	111.888	H5	N3	H6	117.835

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)