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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	-169.449405
Energy at 298.15K
HF Energy	-168.947046
Nuclear repulsion energy	70.904836

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3784	3585	45.29
2	A'	3633	3442	43.97
3	A'	2997	2839	110.17
4	A'	1866	1768	378.89
5	A'	1619	1534	65.19
6	A'	1440	1364	4.22
7	A'	1292	1224	107.68
8	A'	1065	1009	3.24
9	A'	570	540	12.16
10	A"	1066	1009	0.34
11	A"	639	605	14.24
12	A"	275i	260i	227.49

Atom	x (Å)	y (Å)
C1	0.000	0.420
O2	1.201	0.243
N3	-0.940	-0.572
H4	-0.469	1.435
H5	-0.635	-1.538
H6	-1.928	-0.361

	C1	O2	N3	H4	H5	H6
C1		1.2143	1.3663	1.1175	2.0591	2.0803
O2	1.2143		2.2906	2.0518	2.5585	3.1870
N3	1.3663	2.2906		2.0607	1.0135	1.0105
H4	1.1175	2.0518	2.0607		2.9776	2.3136
H5	2.0591	2.5585	1.0135	2.9776		1.7485
H6	2.0803	3.1870	1.0105	2.3136	1.7485

All results from a given calculation for CHONH₂ (formamide)

using model chemistry: CCSD/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	119.073	C1	N3	H6	121.423
O2	C1	N3	125.053	O2	C1	H4	123.213
N3	C1	H4	111.734	H5	N3	H6	119.505

	hartrees
Energy at 0K	-169.449725
Energy at 298.15K	-169.453599
HF Energy	-168.946901
Nuclear repulsion energy	70.816446

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3740	3543	32.29
2	A	3603	3413	29.51
3	A	2999	2841	106.51
4	A	1868	1769	339.84
5	A	1626	1540	53.91
6	A	1440	1364	3.48
7	A	1290	1222	98.49
8	A	1091	1034	6.36
9	A	1049	994	1.68
10	A	622	590	52.97
11	A	568	538	15.42
12	A	368	348	239.92

Atom	x (Å)	y (Å)	z (Å)
C1	0.165	0.388	0.001
O2	1.198	-0.247	0.010
N3	-1.096	-0.158	-0.065
H4	0.136	1.505	-0.001
H5	-1.161	-1.154	0.131
H6	-1.879	0.410	0.237

	C1	O2	N3	H4	H5	H6
C1		1.2131	1.3759	1.1174	2.0374	2.0576
O2	1.2131		2.2974	2.0495	2.5301	3.1550
N3	1.3759	2.2974		2.0707	1.0164	1.0139
H4	1.1174	2.0495	2.0707		2.9608	2.3050
H5	2.0374	2.5301	1.0164	2.9608		1.7245
H6	2.0576	3.1550	1.0139	2.3050	1.7245

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	115.974	C1	N3	H6	118.075
O2	C1	N3	124.967	O2	C1	H4	123.089
N3	C1	H4	111.891	H5	N3	H6	116.295

All results from a given calculation for CHONH2 (formamide)

using model chemistry: CCSD/cc-pVDZ

States and conformations

Conformer 1 (Planar)

Conformer 2 (Non-Planar)

All results from a given calculation for CHONH₂ (formamide)