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State	Conformation	minimum conformation	conformer description	state description
1	1	yes	Cs	¹A^'
1	2	no	C2V	¹A₁

	hartrees
Energy at 0K	-148.159879
Energy at 298.15K	-148.161701
Nuclear repulsion energy	58.095675

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3660	3477	74.86
2	A₁	2220	2109	72.63
3	A₁	1732	1646	70.81
4	A₁	1065	1012	13.17
5	B₁	354	336	1.74
6	B₁	287	273	517.80
7	B₂	3792	3603	77.53
8	B₂	1211	1151	8.48
9	B₂	365	347	0.13

Atom	y (Å)	z (Å)
C1	0.000	0.218
N2	0.000	1.421
N3	0.000	-1.137
H4	0.867	-1.650
H5	-0.867	-1.650

	C1	N2	N3	H4	H5
C1		1.2023	1.3549	2.0592	2.0592
N2	1.2023		2.5572	3.1902	3.1902
N3	1.3549	2.5572		1.0073	1.0073
H4	2.0592	3.1902	1.0073		1.7339
H5	2.0592	3.1902	1.0073	1.7339

All results from a given calculation for NH₂CN (cyanamide)

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

States and conformations

Conformer 1 (Cs)

Conformer 2 (C2V)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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	C1	N2	N3	H4	H5
C1		1.2022	1.3548	2.0593	2.0593
N2	1.2022		2.5569	3.1902	3.1902
N3	1.3548	2.5569		1.0073	1.0073
H4	2.0593	3.1902	1.0073		1.7337
H5	2.0593	3.1902	1.0073	1.7337

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N3	H4	120.614		C1	N3	H5	120.614
N2	C1	N3	180.000		H4	N3	H5	118.772

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N3	H4	120.627		C1	N3	H5	120.627
N2	C1	N3	180.000		H4	N3	H5	118.746

All results from a given calculation for NH2CN (cyanamide)

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

States and conformations

Conformer 1 (Cs)

Conformer 2 (C2V)

All results from a given calculation for NH₂CN (cyanamide)