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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	-169.439968
Energy at 298.15K
HF Energy	-168.938541
Nuclear repulsion energy	71.014958

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3841	3616	44.51
2	A'	3696	3479	46.61
3	A'	3056	2876	101.19
4	A'	1849	1740	356.35
5	A'	1667	1570	61.17
6	A'	1463	1377	5.47
7	A'	1304	1228	110.01
8	A'	1077	1014	4.07
9	A'	569	535	12.73
10	A"	1066	1004	0.06
11	A"	642	605	20.37
12	A"	148i	139i	280.23

Atom	x (Å)	y (Å)
C1	0.000	0.422
O2	1.205	0.226
N3	-0.945	-0.558
H4	-0.444	1.430
H5	-0.650	-1.519
H6	-1.925	-0.344

	C1	O2	N3	H4	H5	H6
C1		1.2205	1.3619	1.1012	2.0465	2.0718
O2	1.2205		2.2886	2.0411	2.5462	3.1811
N3	1.3619	2.2886		2.0505	1.0048	1.0028
H4	1.1012	2.0411	2.0505		2.9558	2.3110
H5	2.0465	2.5462	1.0048	2.9558		1.7338
H6	2.0718	3.1811	1.0028	2.3110	1.7338

All results from a given calculation for CHONH₂ (formamide)

using model chemistry: QCISD/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	118.930	C1	N3	H6	121.618
O2	C1	N3	124.724	O2	C1	H4	122.996
N3	C1	H4	112.280	H5	N3	H6	119.452

	hartrees
Energy at 0K	-169.439992
Energy at 298.15K	-169.443667
HF Energy	-168.938416
Nuclear repulsion energy	70.996406

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3830	3605	40.73
2	A	3687	3471	42.08
3	A	3056	2877	100.00
4	A	1849	1740	345.00
5	A	1669	1571	58.78
6	A	1463	1377	5.03
7	A	1304	1228	107.09
8	A	1087	1023	4.33
9	A	1062	999	0.61
10	A	636	599	30.91
11	A	568	535	12.27
12	A	207	194	285.74

Atom	x (Å)	y (Å)	z (Å)
C1	0.159	0.391	0.001
O2	1.200	-0.246	0.005
N3	-1.088	-0.160	-0.034
H4	0.132	1.492	0.000
H5	-1.167	-1.157	0.068
H6	-1.903	0.406	0.119

	C1	O2	N3	H4	H5	H6
C1		1.2203	1.3641	1.1012	2.0400	2.0658
O2	1.2203		2.2899	2.0404	2.5371	3.1726
N3	1.3641	2.2899		2.0535	1.0056	1.0035
H4	1.1012	2.0404	2.0535		2.9511	2.3095
H5	2.0400	2.5371	1.0056	2.9511		1.7278
H6	2.0658	3.1726	1.0035	2.3095	1.7278

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	118.035	C1	N3	H6	120.742
O2	C1	N3	124.667	O2	C1	H4	122.945
N3	C1	H4	112.371	H5	N3	H6	118.627

All results from a given calculation for CHONH2 (formamide)

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

States and conformations

Conformer 1 (Planar)

Conformer 2 (Non-Planar)

All results from a given calculation for CHONH₂ (formamide)