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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	-168.334233
Energy at 298.15K	-168.338142
HF Energy	-167.980154
Nuclear repulsion energy	69.673941

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3653	3576
2	A'	3517	3442
3	A'	2913	2852
4	A'	1707	1671
5	A'	1663	1628
6	A'	1431	1400
7	A'	1250	1224
8	A'	1039	1017
9	A'	560	548
10	A"	1061	1038
11	A"	644	631
12	A"	412	403

Atom	x (Å)	y (Å)
C1	0.000	0.425
O2	1.238	0.224
N3	-0.971	-0.558
H4	-0.457	1.434
H5	-0.691	-1.535
H6	-1.958	-0.330

	C1	O2	N3	H4	H5	H6
C1		1.2539	1.3813	1.1083	2.0775	2.0988
O2	1.2539		2.3427	2.0826	2.6102	3.2437
N3	1.3813	2.3427		2.0577	1.0155	1.0135
H4	1.1083	2.0826	2.0577		2.9782	2.3171
H5	2.0775	2.6102	1.0155	2.9782		1.7478
H6	2.0988	3.2437	1.0135	2.3171	1.7478

All results from a given calculation for CHONH₂ (formamide)

using model chemistry: MP4=FULL/3-21G

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	119.390	C1	N3	H6	121.663
O2	C1	N3	125.431	O2	C1	H4	123.558
N3	C1	H4	111.011	H5	N3	H6	118.948

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	3653	3576
2	A	3516	3441
3	A	2911	2850
4	A	1707	1670
5	A	1663	1627
6	A	1431	1400
7	A	1251	1224
8	A	1061	1038
9	A	1040	1017
10	A	645	632
11	A	560	548
12	A	410	401

Atom	x (Å)	y (Å)	z (Å)
C1	0.155	0.395	0.000
O2	1.234	-0.245	-0.000
N3	-1.108	-0.164	-0.000
H4	0.100	1.503	0.000
H5	-1.203	-1.176	0.001
H6	-1.944	0.408	-0.001

	C1	O2	N3	H4	H5	H6
C1		1.2540	1.3812	1.1086	2.0763	2.0992
O2	1.2540		2.3425	2.0828	2.6080	3.2439
N3	1.3812	2.3425		2.0581	1.0156	1.0135
H4	1.1086	2.0828	2.0581		2.9778	2.3182
H5	2.0763	2.6080	1.0156	2.9778		1.7485
H6	2.0992	3.2439	1.0135	2.3182	1.7485

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.276	C1	N3	H6	121.708
O2	C1	N3	125.409	O2	C1	H4	123.559
N3	C1	H4	111.031	H5	N3	H6	119.016

All results from a given calculation for CHONH2 (formamide)

using model chemistry: MP4=FULL/3-21G

States and conformations

Conformer 1 (Planar)

Conformer 2 (Non-Planar)

All results from a given calculation for CHONH₂ (formamide)