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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	-169.154540
Energy at 298.15K	-169.158553
HF Energy	-168.853470
Nuclear repulsion energy	70.426047

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3826	3578	42.03
2	A'	3688	3449	48.97
3	A'	3104	2903	77.83
4	A'	1792	1676	391.71
5	A'	1736	1624	32.85
6	A'	1477	1381	16.97
7	A'	1330	1243	139.86
8	A'	1115	1043	7.21
9	A'	583	545	14.28
10	A"	1071	1002	0.00
11	A"	652	610	195.92
12	A"	492	460	284.13

Atom	x (Å)	y (Å)
C1	0.000	0.426
O2	1.221	0.207
N3	-0.962	-0.546
H4	-0.405	1.446
H5	-0.689	-1.514
H6	-1.940	-0.320

	C1	O2	N3	H4	H5	H6
C1		1.2407	1.3678	1.0975	2.0586	2.0787
O2	1.2407		2.3099	2.0443	2.5712	3.2052
N3	1.3678	2.3099		2.0685	1.0060	1.0037
H4	1.0975	2.0443	2.0685		2.9736	2.3399
H5	2.0586	2.5712	1.0060	2.9736		1.7300
H6	2.0787	3.2052	1.0037	2.3399	1.7300

All results from a given calculation for CHONH₂ (formamide)

using model chemistry: CID/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	119.496	C1	N3	H6	121.696
O2	C1	N3	124.569	O2	C1	H4	121.805
N3	C1	H4	113.626	H5	N3	H6	118.809

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3826	3578	42.19
2	A	3688	3449	48.99
3	A	3103	2902	77.61
4	A	1791	1675	392.68
5	A	1736	1624	31.85
6	A	1476	1381	17.20
7	A	1331	1245	139.61
8	A	1115	1043	6.92
9	A	1071	1002	0.00
10	A	653	611	198.67
11	A	583	545	14.32
12	A	491	459	281.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.154	0.397	-0.000
O2	1.213	-0.249	0.000
N3	-1.095	-0.160	-0.000
H4	0.147	1.495	0.000
H5	-1.189	-1.162	0.001
H6	-1.925	0.403	0.001

	C1	O2	N3	H4	H5	H6
C1		1.2411	1.3672	1.0977	2.0580	2.0786
O2	1.2411		2.3094	2.0443	2.5700	3.2051
N3	1.3672	2.3094		2.0691	1.0061	1.0036
H4	1.0977	2.0443	2.0691		2.9740	2.3416
H5	2.0580	2.5700	1.0061	2.9740		1.7297
H6	2.0786	3.2051	1.0036	2.3416	1.7297

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.472	C1	N3	H6	121.746
O2	C1	N3	124.535	O2	C1	H4	121.754
N3	C1	H4	113.711	H5	N3	H6	118.781

All results from a given calculation for CHONH2 (formamide)

using model chemistry: CID/6-31G

States and conformations

Conformer 1 (Planar)

Conformer 2 (Non-Planar)

All results from a given calculation for CHONH₂ (formamide)