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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	-169.412189
Energy at 298.15K
HF Energy	-168.929361
Nuclear repulsion energy	71.217798

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3800	3565	52.65
2	A'	3668	3442	55.74
3	A'	3063	2874	88.17
4	A'	1902	1785	398.19
5	A'	1672	1568	85.43
6	A'	1476	1385	5.10
7	A'	1321	1240	117.52
8	A'	1094	1027	4.25
9	A'	578	543	13.35
10	A"	1075	1009	0.17
11	A"	646	606	22.58
12	A"	164i	154i	310.15

Atom	x (Å)	y (Å)
C1	0.000	0.420
O2	1.198	0.237
N3	-0.939	-0.565
H4	-0.450	1.430
H5	-0.640	-1.529
H6	-1.925	-0.360

	C1	O2	N3	H4	H5	H6
C1		1.2122	1.3607	1.1059	2.0514	2.0766
O2	1.2122		2.2832	2.0346	2.5499	3.1799
N3	1.3607	2.2832		2.0540	1.0094	1.0071
H4	1.1059	2.0346	2.0540		2.9652	2.3188
H5	2.0514	2.5499	1.0094	2.9652		1.7375
H6	2.0766	3.1799	1.0071	2.3188	1.7375

All results from a given calculation for CHONH₂ (formamide)

using model chemistry: MP3=FULL/6-31G*

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	119.137	C1	N3	H6	121.856
O2	C1	N3	124.996	O2	C1	H4	122.658
N3	C1	H4	112.346	H5	N3	H6	119.007

	hartrees
Energy at 0K	-169.412188
Energy at 298.15K
HF Energy	-168.929355
Nuclear repulsion energy	71.218635

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3800	3566	52.77
2	A	3669	3442	55.77
3	A	3064	2875	88.00
4	A	1901	1784	398.39
5	A	1671	1568	85.26
6	A	1476	1385	5.12
7	A	1322	1240	117.28
8	A	1094	1027	4.19
9	A	1075	1009	0.17
10	A	646	606	22.65
11	A	578	543	13.38
12	A	165i	155i	310.07

Atom	x (Å)	y (Å)	z (Å)
C1	-0.163	0.387	-0.000
O2	-1.197	-0.246	0.000
N3	1.085	-0.157	-0.000
H4	-0.140	1.492	0.000
H5	1.183	-1.161	0.001
H6	1.914	0.415	0.001

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.139	C1	N3	H6	121.860
O2	C1	N3	125.001	O2	C1	H4	122.656
N3	C1	H4	112.343	H5	N3	H6	119.001

All results from a given calculation for CHONH2 (formamide)

using model chemistry: MP3=FULL/6-31G*

States and conformations

Conformer 1 (Planar)

Conformer 2 (Non-Planar)

All results from a given calculation for CHONH₂ (formamide)