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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	-169.477643
Energy at 298.15K
HF Energy	-168.972744
Nuclear repulsion energy	71.333338

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3801	3631	36.45
2	A'	3665	3501	40.94
3	A'	2998	2863	100.29
4	A'	1883	1799	418.87
5	A'	1694	1618	71.99
6	A'	1453	1388	4.59
7	A'	1302	1244	126.77
8	A'	1089	1040	7.89
9	A'	580	554	12.66
10	A"	1065	1017	1.01
11	A"	641	612	17.82
12	A"	271i	259i	297.69

Atom	x (Å)	y (Å)
C1	0.000	0.419
O2	1.193	0.244
N3	-0.934	-0.571
H4	-0.455	1.429
H5	-0.632	-1.530
H6	-1.916	-0.370

	C1	O2	N3	H4	H5	H6
C1		1.2056	1.3612	1.1074	2.0485	2.0723
O2	1.2056		2.2780	2.0293	2.5449	3.1693
N3	1.3612	2.2780		2.0562	1.0051	1.0026
H4	1.1074	2.0293	2.0562		2.9634	2.3171
H5	2.0485	2.5449	1.0051	2.9634		1.7307
H6	2.0723	3.1693	1.0026	2.3171	1.7307

All results from a given calculation for CHONH₂ (formamide)

using model chemistry: CCD/6-311G*

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	119.154	C1	N3	H6	121.754
O2	C1	N3	125.008	O2	C1	H4	122.596
N3	C1	H4	112.396	H5	N3	H6	119.092

	hartrees
Energy at 0K	-169.477839
Energy at 298.15K	-169.481718
HF Energy	-168.972527
Nuclear repulsion energy	71.280138

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3774	3605	28.54
2	A	3646	3482	31.35
3	A	3002	2867	97.52
4	A	1886	1801	386.31
5	A	1699	1623	66.30
6	A	1456	1391	4.41
7	A	1306	1248	114.15
8	A	1106	1056	11.00
9	A	1060	1012	1.39
10	A	632	604	53.45
11	A	580	554	14.88
12	A	360	344	299.99

Atom	x (Å)	y (Å)	z (Å)
C1	0.166	0.386	0.001
O2	1.191	-0.247	0.008
N3	-1.089	-0.156	-0.052
H4	0.150	1.492	-0.001
H5	-1.165	-1.147	0.105
H6	-1.882	0.412	0.190

	C1	O2	N3	H4	H5	H6
C1		1.2049	1.3676	1.1070	2.0327	2.0564
O2	1.2049		2.2826	2.0273	2.5241	3.1479
N3	1.3676	2.2826		2.0628	1.0067	1.0045
H4	1.1070	2.0273	2.0628		2.9512	2.3096
H5	2.0327	2.5241	1.0067	2.9512		1.7175
H6	2.0564	3.1479	1.0045	2.3096	1.7175

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	116.954	C1	N3	H6	119.420
O2	C1	N3	124.955	O2	C1	H4	122.488
N3	C1	H4	112.518	H5	N3	H6	117.295

All results from a given calculation for CHONH2 (formamide)

using model chemistry: CCD/6-311G*

States and conformations

Conformer 1 (Planar)

Conformer 2 (Non-Planar)

All results from a given calculation for CHONH₂ (formamide)