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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	-169.454513
Energy at 298.15K
HF Energy	-168.946316
Nuclear repulsion energy	70.910268

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3823	3614	52.22
2	A'	3677	3476	50.40
3	A'	3075	2907	86.98
4	A'	1807	1708	457.65
5	A'	1666	1575	51.41
6	A'	1448	1369	7.14
7	A'	1296	1226	128.92
8	A'	1075	1017	6.03
9	A'	570	539	11.25
10	A"	1051	993	2.90
11	A"	623	589	12.50
12	A"	178i	168i	276.49

Atom	x (Å)	y (Å)
C1	0.000	0.423
O2	1.207	0.220
N3	-0.948	-0.555
H4	-0.430	1.435
H5	-0.662	-1.520
H6	-1.928	-0.332

	C1	O2	N3	H4	H5	H6
C1		1.2242	1.3625	1.0995	2.0529	2.0706
O2	1.2242		2.2907	2.0386	2.5538	3.1833
N3	1.3625	2.2907		2.0568	1.0066	1.0044
H4	1.0995	2.0386	2.0568		2.9644	2.3170
H5	2.0529	2.5538	1.0066	2.9644		1.7358
H6	2.0706	3.1833	1.0044	2.3170	1.7358

All results from a given calculation for CHONH₂ (formamide)

using model chemistry: QCISD/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	119.356	C1	N3	H6	121.298
O2	C1	N3	124.560	O2	C1	H4	122.556
N3	C1	H4	112.884	H5	N3	H6	119.346

	hartrees
Energy at 0K	-169.454546
Energy at 298.15K	-169.458262
HF Energy	-168.946132
Nuclear repulsion energy	70.895017

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3812	3604	48.54
2	A	3668	3468	45.88
3	A	3075	2907	85.70
4	A	1808	1709	443.23
5	A	1667	1576	49.90
6	A	1449	1370	6.49
7	A	1297	1226	124.86
8	A	1084	1024	6.86
9	A	1050	992	2.25
10	A	621	587	23.37
11	A	570	539	10.64
12	A	242	229	282.63

Atom	x (Å)	y (Å)	z (Å)
C1	0.158	0.393	0.002
O2	1.201	-0.248	0.005
N3	-1.089	-0.160	-0.033
H4	0.140	1.492	0.001
H5	-1.174	-1.158	0.070
H6	-1.903	0.410	0.115

	C1	O2	N3	H4	H5	H6
C1		1.2240	1.3646	1.0994	2.0461	2.0647
O2	1.2240		2.2919	2.0381	2.5446	3.1753
N3	1.3646	2.2919		2.0594	1.0073	1.0052
H4	1.0994	2.0381	2.0594		2.9593	2.3150
H5	2.0461	2.5446	1.0073	2.9593		1.7303
H6	2.0647	3.1753	1.0052	2.3150	1.7303

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	118.447	C1	N3	H6	120.459
O2	C1	N3	124.510	O2	C1	H4	122.518
N3	C1	H4	112.955	H5	N3	H6	118.580

All results from a given calculation for CHONH2 (formamide)

using model chemistry: QCISD/6-31+G**

States and conformations

Conformer 1 (Planar)

Conformer 2 (Non-Planar)

All results from a given calculation for CHONH₂ (formamide)