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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	-169.551064
Energy at 298.15K
HF Energy	-168.980351
Nuclear repulsion energy	71.138283

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3802	3606	50.15
2	A'	3654	3467	49.28
3	A'	3011	2856	112.66
4	A'	1835	1741	352.32
5	A'	1630	1546	62.96
6	A'	1443	1369	3.49
7	A'	1287	1221	105.98
8	A'	1058	1004	4.18
9	A'	566	537	11.08
10	A"	1061	1006	1.77
11	A"	646	613	14.03
12	A"	249i	236i	245.21

Atom	x (Å)	y (Å)
C1	0.000	0.420
O2	1.199	0.239
N3	-0.939	-0.567
H4	-0.462	1.424
H5	-0.637	-1.527
H6	-1.921	-0.357

	C1	O2	N3	H4	H5	H6
C1		1.2129	1.3623	1.1057	2.0483	2.0718
O2	1.2129		2.2854	2.0407	2.5478	3.1765
N3	1.3623	2.2854		2.0479	1.0064	1.0038
H4	1.1057	2.0407	2.0479		2.9566	2.3025
H5	2.0483	2.5478	1.0064	2.9566		1.7371
H6	2.0718	3.1765	1.0038	2.3025	1.7371

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	118.944	C1	N3	H6	121.490
O2	C1	N3	125.013	O2	C1	H4	123.254
N3	C1	H4	111.733	H5	N3	H6	119.566

	hartrees
Energy at 0K	-169.551199
Energy at 298.15K	-169.555038
HF Energy	-168.980166
Nuclear repulsion energy	71.104439

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3780	3586	42.34
2	A	3639	3452	40.97
3	A	3013	2858	110.01
4	A	1834	1740	331.71
5	A	1632	1548	58.93
6	A	1445	1370	2.84
7	A	1288	1222	101.29
8	A	1078	1023	5.55
9	A	1051	997	1.99
10	A	637	604	36.66
11	A	568	538	10.62
12	A	331	314	254.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.162	0.387	0.001
O2	1.197	-0.245	0.007
N3	-1.089	-0.159	-0.048
H4	0.130	1.493	-0.001
H5	-1.164	-1.153	0.097
H6	-1.888	0.411	0.172

	C1	O2	N3	H4	H5	H6
C1		1.2125	1.3668	1.1055	2.0352	2.0577
O2	1.2125		2.2884	2.0392	2.5306	3.1581
N3	1.3668	2.2884		2.0533	1.0077	1.0053
H4	1.1055	2.0392	2.0533		2.9468	2.2960
H5	2.0352	2.5306	1.0077	2.9468		1.7255
H6	2.0577	3.1581	1.0053	2.2960	1.7255

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	117.181	C1	N3	H6	119.543
O2	C1	N3	124.944	O2	C1	H4	123.151
N3	C1	H4	111.871	H5	N3	H6	117.992

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)