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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	-169.448666
Energy at 298.15K
HF Energy	-168.946044
Nuclear repulsion energy	70.870155

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3828	3595	63.80
2	A'	3673	3449	59.06
3	A'	3087	2899	86.92
4	A'	1799	1690	444.08
5	A'	1656	1556	49.20
6	A'	1445	1357	6.17
7	A'	1297	1218	117.70
8	A'	1069	1004	5.70
9	A'	567	533	9.94
10	A"	1045	982	5.66
11	A"	633	595	11.83
12	A"	111i	105i	272.41

Atom	x (Å)	y (Å)
C1	0.000	0.423
O2	1.210	0.216
N3	-0.951	-0.551
H4	-0.428	1.434
H5	-0.667	-1.517
H6	-1.929	-0.325

	C1	O2	N3	H4	H5	H6
C1		1.2274	1.3609	1.0983	2.0512	2.0691
O2	1.2274		2.2926	2.0415	2.5545	3.1853
N3	1.3609	2.2926		2.0527	1.0067	1.0043
H4	1.0983	2.0415	2.0527		2.9608	2.3124
H5	2.0512	2.5545	1.0067	2.9608		1.7361
H6	2.0691	3.1853	1.0043	2.3124	1.7361

All results from a given calculation for CHONH₂ (formamide)

using model chemistry: MP2=FULL/6-31+G**

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	119.328	C1	N3	H6	121.306
O2	C1	N3	124.606	O2	C1	H4	122.655
N3	C1	H4	112.739	H5	N3	H6	119.367

	hartrees
Energy at 0K	-169.448671
Energy at 298.15K	-169.452265
HF Energy	-168.945969
Nuclear repulsion energy	70.866097

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3824	3592	62.34
2	A	3670	3447	57.34
3	A	3087	2899	86.27
4	A	1799	1689	438.97
5	A	1657	1556	48.39
6	A	1445	1357	5.91
7	A	1298	1219	116.80
8	A	1072	1007	5.94
9	A	1045	982	5.12
10	A	632	594	15.83
11	A	567	533	9.76
12	A	158	149	274.60

Atom	x (Å)	y (Å)	z (Å)
C1	0.156	0.393	0.001
O2	1.204	-0.247	0.003
N3	-1.087	-0.161	-0.020
H4	0.133	1.491	-0.000
H5	-1.176	-1.162	0.043
H6	-1.910	0.409	0.070

	C1	O2	N3	H4	H5	H6
C1		1.2276	1.3614	1.0984	2.0482	2.0670
O2	1.2276		2.2927	2.0411	2.5501	3.1824
N3	1.3614	2.2927		2.0542	1.0070	1.0045
H4	1.0984	2.0411	2.0542		2.9591	2.3131
H5	2.0482	2.5501	1.0070	2.9591		1.7339
H6	2.0670	3.1824	1.0045	2.3131	1.7339

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	118.955	C1	N3	H6	121.031
O2	C1	N3	124.566	O2	C1	H4	122.603
N3	C1	H4	112.822	H5	N3	H6	119.076

All results from a given calculation for CHONH2 (formamide)

using model chemistry: MP2=FULL/6-31+G**

States and conformations

Conformer 1 (Planar)

Conformer 2 (Non-Planar)

All results from a given calculation for CHONH₂ (formamide)