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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	-169.497996
Energy at 298.15K	-169.501439
HF Energy	-168.962555
Nuclear repulsion energy	70.808520

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3766	3766	45.71
2	A'	3618	3618	45.49
3	A'	3028	3028	74.90
4	A'	1798	1798	451.84
5	A'	1637	1637	48.27
6	A'	1419	1419	4.98
7	A'	1280	1280	123.78
8	A'	1062	1062	5.60
9	A'	565	565	12.00
10	A"	1047	1047	3.23
11	A"	627	627	13.48
12	A"	70	70	215.78

Atom	x (Å)	y (Å)
C1	0.000	0.423
O2	1.205	0.231
N3	-0.945	-0.565
H4	-0.445	1.441
H5	-0.651	-1.532
H6	-1.929	-0.344

	C1	O2	N3	H4	H5	H6
C1		1.2204	1.3674	1.1106	2.0609	2.0763
O2	1.2204		2.2929	2.0462	2.5601	3.1868
N3	1.3674	2.2929		2.0671	1.0110	1.0085
H4	1.1106	2.0462	2.0671		2.9800	2.3216
H5	2.0609	2.5601	1.0110	2.9800		1.7448
H6	2.0763	3.1868	1.0085	2.3216	1.7448

All results from a given calculation for CHONH₂ (formamide)

using model chemistry: CCSD=FULL/aug-cc-pVDZ

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	119.358	C1	N3	H6	121.098
O2	C1	N3	124.664	O2	C1	H4	122.685
N3	C1	H4	112.651	H5	N3	H6	119.544

	hartrees
Energy at 0K	-169.497997
Energy at 298.15K	-169.501435
HF Energy	-168.962548
Nuclear repulsion energy	70.809910

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3767	3767	45.79
2	A	3618	3618	45.47
3	A	3028	3028	74.74
4	A	1797	1797	452.15
5	A	1637	1637	47.93
6	A	1419	1419	4.99
7	A	1280	1280	123.64
8	A	1062	1062	5.47
9	A	1047	1047	3.23
10	A	627	627	13.61
11	A	565	565	12.00
12	A	67	67	215.63

Atom	x (Å)	y (Å)	z (Å)
C1	0.162	0.391	0.000
O2	1.202	-0.248	0.000
N3	-1.089	-0.160	-0.000
H4	0.142	1.502	0.000
H5	-1.187	-1.166	0.000
H6	-1.914	0.421	0.000

	C1	O2	N3	H4	H5	H6
C1		1.2207	1.3671	1.1106	2.0603	2.0763
O2	1.2207		2.2927	2.0460	2.5590	3.1868
N3	1.3671	2.2927		2.0675	1.0110	1.0084
H4	1.1106	2.0460	2.0675		2.9800	2.3225
H5	2.0603	2.5590	1.0110	2.9800		1.7450
H6	2.0763	3.1868	1.0084	2.3225	1.7450

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.318	C1	N3	H6	121.120
O2	C1	N3	124.643	O2	C1	H4	122.652
N3	C1	H4	112.704	H5	N3	H6	119.561

All results from a given calculation for CHONH2 (formamide)

using model chemistry: CCSD=FULL/aug-cc-pVDZ

States and conformations

Conformer 1 (Planar)

Conformer 2 (Non-Planar)

All results from a given calculation for CHONH₂ (formamide)