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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	-166.854622
Energy at 298.15K
HF Energy	-166.683918
Nuclear repulsion energy	68.677789

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	4047	3597	5.50
2	A'	3819	3395	41.33
3	A'	3306	2939	33.91
4	A'	1884	1675	127.76
5	A'	1757	1562	2.64
6	A'	1507	1340	0.10
7	A'	1298	1154	91.74
8	A'	1078	958	9.16
9	A'	544	483	4.73
10	A"	996	885	0.50
11	A"	562	500	5.02
12	A"	606i	539i	275.88

Atom	x (Å)	y (Å)
C1	0.000	0.441
O2	1.244	0.259
N3	-0.968	-0.597
H4	-0.509	1.442
H5	-0.683	-1.589
H6	-1.979	-0.392

	C1	O2	N3	H4	H5	H6
C1		1.2570	1.4192	1.1232	2.1417	2.1470
O2	1.2570		2.3718	2.1148	2.6698	3.2878
N3	1.4192	2.3718		2.0895	1.0326	1.0312
H4	1.1232	2.1148	2.0895		3.0359	2.3498
H5	2.1417	2.6698	1.0326	3.0359		1.7645
H6	2.1470	3.2878	1.0312	2.3498	1.7645

All results from a given calculation for CHONH₂ (formamide)

using model chemistry: MP2=FULL/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	120.931	C1	N3	H6	121.562
O2	C1	N3	124.715	O2	C1	H4	125.283
N3	C1	H4	110.003	H5	N3	H6	117.507

	hartrees
Energy at 0K	-166.861230
Energy at 298.15K	-166.865022
HF Energy	-166.686167
Nuclear repulsion energy	68.011523

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3853	3425	1.46
2	A	3650	3244	2.98
3	A	3323	2954	28.73
4	A	1867	1660	27.65
5	A	1809	1608	36.70
6	A	1500	1333	3.38
7	A	1346	1197	32.62
8	A	1136	1010	7.64
9	A	959	852	5.79
10	A	809	719	221.93
11	A	558	496	13.44
12	A	386	343	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		1.2565	1.4710	1.1222	2.0609	2.0641
O2	1.2565		2.4120	2.1091	2.5494	3.1626
N3	1.4710	2.4120		2.1440	1.0525	1.0516
H4	1.1222	2.1091	2.1440		2.9843	2.3368
H5	2.0609	2.5494	1.0525	2.9843		1.6854
H6	2.0641	3.1626	1.0516	2.3368	1.6854

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	108.370	C1	N3	H6	108.673
O2	C1	N3	124.149	O2	C1	H4	124.811
N3	C1	H4	110.818	H5	N3	H6	106.446

All results from a given calculation for CHONH2 (formamide)

using model chemistry: MP2=FULL/STO-3G

States and conformations

Conformer 1 (Planar)

Conformer 2 (Non-Planar)

All results from a given calculation for CHONH₂ (formamide)