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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	-169.558288
Energy at 298.15K
HF Energy	-168.952066
Nuclear repulsion energy	71.521759

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3826	3603	52.59
2	A'	3684	3469	54.22
3	A'	3026	2850	80.52
4	A'	1875	1765	364.99
5	A'	1647	1551	66.46
6	A'	1464	1379	4.45
7	A'	1301	1225	110.92
8	A'	1077	1014	4.24
9	A'	572	539	12.07
10	A"	1094	1030	0.11
11	A"	651	613	16.08
12	A"	75i	71i	227.31

Atom	x (Å)	y (Å)
C1	0.000	0.416
O2	1.192	0.242
N3	-0.932	-0.567
H4	-0.461	1.418
H5	-0.635	-1.525
H6	-1.911	-0.361

	C1	O2	N3	H4	H5	H6
C1		1.2045	1.3550	1.1025	2.0426	2.0631
O2	1.2045		2.2731	2.0283	2.5418	3.1610
N3	1.3550	2.2731		2.0398	1.0032	1.0001
H4	1.1025	2.0283	2.0398		2.9479	2.2948
H5	2.0426	2.5418	1.0032	2.9479		1.7272
H6	2.0631	3.1610	1.0001	2.2948	1.7272

All results from a given calculation for CHONH₂ (formamide)

using model chemistry: CCSD=FULL/6-31G(2df,p)

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	119.282	C1	N3	H6	121.597
O2	C1	N3	125.167	O2	C1	H4	123.036
N3	C1	H4	111.797	H5	N3	H6	119.121

	hartrees
Energy at 0K	-169.558286
Energy at 298.15K	-169.561963
HF Energy	-168.952022
Nuclear repulsion energy	71.502195

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3817	3595	49.64
2	A	3678	3463	50.46
3	A	3028	2851	79.91
4	A	1875	1765	356.49
5	A	1649	1552	63.84
6	A	1465	1379	4.15
7	A	1301	1225	108.10
8	A	1096	1032	1.14
9	A	1077	1014	3.70
10	A	645	607	22.78
11	A	572	538	11.36
12	A	198	187	236.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.163	0.383	0.001
O2	1.191	-0.244	0.005
N3	-1.082	-0.156	-0.030
H4	0.133	1.485	0.001
H5	-1.176	-1.151	0.063
H6	-1.892	0.414	0.106

	C1	O2	N3	H4	H5	H6
C1		1.2043	1.3570	1.1023	2.0374	2.0581
O2	1.2043		2.2746	2.0275	2.5353	3.1544
N3	1.3570	2.2746		2.0421	1.0038	1.0008
H4	1.1023	2.0275	2.0421		2.9440	2.2928
H5	2.0374	2.5353	1.0038	2.9440		1.7227
H6	2.0581	3.1544	1.0008	2.2928	1.7227

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	118.555	C1	N3	H6	120.848
O2	C1	N3	125.155	O2	C1	H4	122.976
N3	C1	H4	111.857	H5	N3	H6	118.488

All results from a given calculation for CHONH2 (formamide)

using model chemistry: CCSD=FULL/6-31G(2df,p)

States and conformations

Conformer 1 (Planar)

Conformer 2 (Non-Planar)

All results from a given calculation for CHONH₂ (formamide)