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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	-166.853897
Energy at 298.15K
HF Energy	-166.683898
Nuclear repulsion energy	68.672561

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4046	3528	5.49
2	A'	3818	3329	41.32
3	A'	3306	2882	33.90
4	A'	1884	1643	127.74
5	A'	1757	1532	2.61
6	A'	1507	1314	0.09
7	A'	1297	1131	91.78
8	A'	1078	940	9.17
9	A'	544	474	4.73
10	A"	996	868	0.50
11	A"	562	490	5.03
12	A"	606i	529i	275.96

Atom	x (Å)	y (Å)
C1	0.000	0.441
O2	1.244	0.259
N3	-0.968	-0.597
H4	-0.510	1.442
H5	-0.683	-1.589
H6	-1.979	-0.392

	C1	O2	N3	H4	H5	H6
C1		1.2570	1.4193	1.1233	2.1419	2.1471
O2	1.2570		2.3720	2.1150	2.6700	3.2880
N3	1.4193	2.3720		2.0897	1.0326	1.0313
H4	1.1233	2.1150	2.0897		3.0361	2.3500
H5	2.1419	2.6700	1.0326	3.0361		1.7646
H6	2.1471	3.2880	1.0313	2.3500	1.7646

All results from a given calculation for CHONH₂ (formamide)

using model chemistry: MP2/STO-3G

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	120.930	C1	N3	H6	121.559
O2	C1	N3	124.713	O2	C1	H4	125.286
N3	C1	H4	110.001	H5	N3	H6	117.511

	hartrees
Energy at 0K	-166.860522
Energy at 298.15K	-166.864314
HF Energy	-166.686136
Nuclear repulsion energy	68.005032

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3852	3359	1.47
2	A	3649	3182	2.98
3	A	3322	2897	28.71
4	A	1867	1628	27.47
5	A	1808	1577	36.84
6	A	1500	1307	3.38
7	A	1346	1174	32.58
8	A	1136	991	7.65
9	A	959	836	5.82
10	A	809	706	221.72
11	A	558	486	13.45
12	A	385	336	45.95

Atom	x (Å)	y (Å)	z (Å)
C1	0.181	0.414	0.002
O2	1.239	-0.264	0.017
N3	-1.167	-0.162	-0.125
H4	0.139	1.535	-0.013
H5	-1.142	-1.148	0.240
H6	-1.821	0.372	0.503

	C1	O2	N3	H4	H5	H6
C1		1.2566	1.4713	1.1223	2.0610	2.0641
O2	1.2566		2.4123	2.1092	2.5494	3.1626
N3	1.4713	2.4123		2.1442	1.0526	1.0517
H4	1.1223	2.1092	2.1442		2.9845	2.3370
H5	2.0610	2.5494	1.0526	2.9845		1.6854
H6	2.0641	3.1626	1.0517	2.3370	1.6854

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	108.355	C1	N3	H6	108.656
O2	C1	N3	124.148	O2	C1	H4	124.814
N3	C1	H4	110.817	H5	N3	H6	106.436

All results from a given calculation for CHONH2 (formamide)

using model chemistry: MP2/STO-3G

States and conformations

Conformer 1 (Planar)

Conformer 2 (Non-Planar)

All results from a given calculation for CHONH₂ (formamide)