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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	-169.785123
Energy at 298.15K	-169.780170
HF Energy	-168.930703
Nuclear repulsion energy	72.072080

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3973	3743	63.48
2	A'	3838	3616	57.94
3	A'	3214	3028	103.76
4	A'	1999	1883	514.87
5	A'	1789	1686	84.03
6	A'	1563	1473	10.33
7	A'	1379	1299	155.07
8	A'	1160	1093	8.34
9	A'	618	582	17.30
10	A"	1183	1114	2.51
11	A"	674	635	32.50
12	A"	109	103	334.98

Atom	x (Å)	y (Å)
C1	0.000	0.422
O2	1.207	0.223
N3	-0.947	-0.555
H4	-0.442	1.434
H5	-0.653	-1.522
H6	-1.933	-0.341

	C1	O2	N3	H4	H5	H6
C1		1.2236	1.3606	1.1046	2.0503	2.0776
O2	1.2236		2.2907	2.0464	2.5505	3.1902
N3	1.3606	2.2907		2.0521	1.0106	1.0084
H4	1.1046	2.0464	2.0521		2.9633	2.3176
H5	2.0503	2.5505	1.0106	2.9633		1.7413
H6	2.0776	3.1902	1.0084	2.3176	1.7413

All results from a given calculation for CHONH₂ (formamide)

using model chemistry: G3

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	119.266	C1	N3	H6	121.831
O2	C1	N3	124.961	O2	C1	H4	122.340
N3	C1	H4	112.700	H5	N3	H6	118.903

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3973	3743	63.49
2	A	3838	3616	57.94
3	A	3214	3029	103.76
4	A	1999	1883	514.84
5	A	1789	1686	84.05
6	A	1563	1473	10.33
7	A	1379	1299	155.07
8	A	1183	1114	2.51
9	A	1160	1093	8.34
10	A	674	635	32.49
11	A	618	582	17.30
12	A	108	102	335.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.158	0.392	0.001
O2	1.202	-0.246	0.005
N3	-1.088	-0.160	-0.031
H4	0.129	1.496	-0.001
H5	-1.168	-1.163	0.062
H6	-1.912	0.405	0.110

	C1	O2	N3	H4	H5	H6
C1		1.2236	1.3623	1.1046	2.0447	2.0722
O2	1.2236		2.2916	2.0458	2.5426	3.1827
N3	1.3623	2.2916		2.0547	1.0112	1.0089
H4	1.1046	2.0458	2.0547		2.9595	2.3165
H5	2.0447	2.5426	1.0112	2.9595		1.7362
H6	2.0722	3.1827	1.0089	2.3165	1.7362

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	112.151	C1	N3	H6	114.190
O2	C1	N3	124.198	O2	C1	H4	122.944
N3	C1	H4	112.822	H5	N3	H6	112.127

All results from a given calculation for CHONH2 (formamide)

using model chemistry: G3

States and conformations

Conformer 1 (Planar)

Conformer 2 (Non-Planar)

All results from a given calculation for CHONH₂ (formamide)