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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	-169.432582
Energy at 298.15K
HF Energy	-168.938359
Nuclear repulsion energy	70.997145

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3850	3598	54.04
2	A'	3696	3454	54.61
3	A'	3068	2866	102.97
4	A'	1847	1725	332.35
5	A'	1660	1551	60.51
6	A'	1461	1365	3.81
7	A'	1306	1221	100.00
8	A'	1072	1001	3.76
9	A'	566	529	11.39
10	A"	1064	994	0.54
11	A"	653	611	20.33
12	A"	59i	55i	276.96

Atom	x (Å)	y (Å)
C1	0.000	0.421
O2	1.207	0.223
N3	-0.947	-0.555
H4	-0.444	1.428
H5	-0.654	-1.516
H6	-1.926	-0.338

	C1	O2	N3	H4	H5	H6
C1		1.2229	1.3600	1.1002	2.0442	2.0700
O2	1.2229		2.2900	2.0436	2.5463	3.1824
N3	1.3600	2.2900		2.0456	1.0047	1.0024
H4	1.1002	2.0436	2.0456		2.9510	2.3053
H5	2.0442	2.5463	1.0047	2.9510		1.7336
H6	2.0700	3.1824	1.0024	2.3053	1.7336

All results from a given calculation for CHONH₂ (formamide)

using model chemistry: MP2=FULL/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	118.874	C1	N3	H6	121.644
O2	C1	N3	124.812	O2	C1	H4	123.119
N3	C1	H4	112.069	H5	N3	H6	119.482

	hartrees
Energy at 0K	-169.432583
Energy at 298.15K	-169.436089
HF Energy	-168.938322
Nuclear repulsion energy	70.991388

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3848	3596	53.24
2	A	3695	3452	53.76
3	A	3068	2867	102.54
4	A	1845	1724	330.48
5	A	1660	1551	59.64
6	A	1461	1365	3.74
7	A	1307	1221	99.73
8	A	1074	1003	3.53
9	A	1062	993	0.80
10	A	652	609	22.48
11	A	566	529	11.30
12	A	98	92	277.87

Atom	x (Å)	y (Å)	z (Å)
C1	0.157	0.391	0.001
O2	1.202	-0.245	0.002
N3	-1.086	-0.160	-0.015
H4	0.123	1.490	0.000
H5	-1.171	-1.160	0.030
H6	-1.911	0.405	0.052

	C1	O2	N3	H4	H5	H6
C1		1.2232	1.3603	1.1002	2.0426	2.0693
O2	1.2232		2.2902	2.0434	2.5441	3.1812
N3	1.3603	2.2902		2.0466	1.0049	1.0025
H4	1.1002	2.0434	2.0466		2.9503	2.3066
H5	2.0426	2.5441	1.0049	2.9503		1.7321
H6	2.0693	3.1812	1.0025	2.3066	1.7321

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	118.679	C1	N3	H6	121.542
O2	C1	N3	124.791	O2	C1	H4	123.074
N3	C1	H4	112.132	H5	N3	H6	119.283

All results from a given calculation for CHONH2 (formamide)

using model chemistry: MP2=FULL/6-31G**

States and conformations

Conformer 1 (Planar)

Conformer 2 (Non-Planar)

All results from a given calculation for CHONH₂ (formamide)