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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	-169.401688
Energy at 298.15K
HF Energy	-168.929246
Nuclear repulsion energy	71.169108

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3799	3565	52.48
2	A'	3667	3442	55.59
3	A'	3062	2874	87.91
4	A'	1898	1782	397.15
5	A'	1671	1568	84.66
6	A'	1476	1385	5.23
7	A'	1320	1239	118.12
8	A'	1093	1026	4.35
9	A'	578	542	13.34
10	A"	1073	1007	0.20
11	A"	644	605	22.15
12	A"	177i	166i	310.54

Atom	x (Å)	y (Å)
C1	0.000	0.421
O2	1.199	0.230
N3	-0.940	-0.560
H4	-0.441	1.433
H5	-0.642	-1.524
H6	-1.925	-0.352

	C1	O2	N3	H4	H5	H6
C1		1.2140	1.3594	1.1039	2.0483	2.0745
O2	1.2140		2.2804	2.0340	2.5421	3.1774
N3	1.3594	2.2804		2.0554	1.0087	1.0064
H4	1.1039	2.0340	2.0554		2.9641	2.3217
H5	2.0483	2.5421	1.0087	2.9641		1.7379
H6	2.0745	3.1774	1.0064	2.3217	1.7379

All results from a given calculation for CHONH₂ (formamide)

using model chemistry: MP3/6-31G*

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	119.011	C1	N3	H6	121.815
O2	C1	N3	124.683	O2	C1	H4	122.620
N3	C1	H4	112.697	H5	N3	H6	119.173

	hartrees
Energy at 0K	-169.401734
Energy at 298.15K	-169.405470
HF Energy	-168.929144
Nuclear repulsion energy	71.140577

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3783	3551	46.85
2	A	3655	3431	48.94
3	A	3063	2875	86.52
4	A	1899	1783	379.75
5	A	1675	1572	79.35
6	A	1476	1386	4.76
7	A	1319	1238	114.43
8	A	1104	1036	4.84
9	A	1069	1003	0.53
10	A	638	598	37.90
11	A	577	542	13.28
12	A	246	231	317.44

Atom	x (Å)	y (Å)	z (Å)
C1	0.161	0.390	0.001
O2	1.194	-0.248	0.006
N3	-1.086	-0.158	-0.039
H4	0.144	1.494	0.000
H5	-1.166	-1.157	0.079
H6	-1.900	0.408	0.139

	C1	O2	N3	H4	H5	H6
C1		1.2136	1.3628	1.1038	2.0399	2.0664
O2	1.2136		2.2824	2.0333	2.5304	3.1660
N3	1.3628	2.2824		2.0592	1.0097	1.0075
H4	1.1038	2.0333	2.0592		2.9578	2.3188
H5	2.0399	2.5304	1.0097	2.9578		1.7300
H6	2.0664	3.1660	1.0075	2.3188	1.7300

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	117.822	C1	N3	H6	120.600
O2	C1	N3	124.615	O2	C1	H4	122.584
N3	C1	H4	112.779	H5	N3	H6	118.106

All results from a given calculation for CHONH2 (formamide)

using model chemistry: MP3/6-31G*

States and conformations

Conformer 1 (Planar)

Conformer 2 (Non-Planar)

All results from a given calculation for CHONH₂ (formamide)