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State	Conformation	minimum conformation	conformer description	state description
1	1	yes	Planar	¹A^'
1	2	no	Non-Planar	¹A

	hartrees
Energy at 0K	-32.825635
Energy at 298.15K	-32.829536
HF Energy	-32.534013
Nuclear repulsion energy	38.909591

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3770	3643	34.51
2	A'	3608	3487	43.82
3	A'	3064	2961	113.56
4	A'	1697	1640	264.89
5	A'	1627	1572	109.32
6	A'	1389	1342	20.33
7	A'	1260	1217	123.96
8	A'	1046	1010	13.25
9	A'	538	519	10.17
10	A"	987	954	11.75
11	A"	630	609	129.91
12	A"	452	437	322.42

Atom	x (Å)	y (Å)
C1	0.000	0.440
O2	1.256	0.203
N3	-0.992	-0.555
H4	-0.414	1.472
H5	-0.713	-1.536
H6	-1.981	-0.316

	C1	O2	N3	H4	H5	H6
C1		1.2784	1.4046	1.1116	2.1008	2.1205
O2	1.2784		2.3718	2.0975	2.6265	3.2786
N3	1.4046	2.3718		2.1073	1.0204	1.0181
H4	1.1116	2.0975	2.1073		3.0229	2.3775
H5	2.1008	2.6265	1.0204	3.0229		1.7605
H6	2.1205	3.2786	1.0181	2.3775	1.7605

All results from a given calculation for CHONH₂ (formamide)

using model chemistry: MP2/CEP-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	119.220	C1	N3	H6	121.331
O2	C1	N3	124.196	O2	C1	H4	122.564
N3	C1	H4	113.241	H5	N3	H6	119.449

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3770	3643	34.50
2	A	3608	3487	43.91
3	A	3064	2960	113.45
4	A	1697	1640	263.33
5	A	1626	1572	111.03
6	A	1389	1342	20.61
7	A	1261	1218	123.49
8	A	1046	1010	12.96
9	A	987	954	11.80
10	A	630	609	131.63
11	A	538	519	10.19
12	A	453	438	320.43

Atom	x (Å)	y (Å)	z (Å)
C1	-0.155	0.412	0.000
O2	-1.247	-0.255	0.000
N3	1.124	-0.168	-0.000
H4	-0.134	1.523	-0.000
H5	1.210	-1.184	0.000
H6	1.965	0.405	0.001

	C1	O2	N3	H4	H5	H6
C1		1.2787	1.4041	1.1116	2.1003	2.1207
O2	1.2787		2.3718	2.0974	2.6262	3.2790
N3	1.4041	2.3718		2.1073	1.0204	1.0181
H4	1.1116	2.0974	2.1073		3.0227	2.3785
H5	2.1003	2.6262	1.0204	3.0227		1.7601
H6	2.1207	3.2790	1.0181	2.3785	1.7601

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.207	C1	N3	H6	121.395
O2	C1	N3	124.206	O2	C1	H4	122.523
N3	C1	H4	113.271	H5	N3	H6	119.399

All results from a given calculation for CHONH2 (formamide)

using model chemistry: MP2/CEP-31G

States and conformations

Conformer 1 (Planar)

Conformer 2 (Non-Planar)

All results from a given calculation for CHONH₂ (formamide)