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

	hartrees
Energy at 0K	-148.563353
Energy at 298.15K	-148.558861
Nuclear repulsion energy	59.929003

	hartrees
Energy at 0K	-148.564461
Energy at 298.15K	-148.560153
HF Energy	-147.907299
Nuclear repulsion energy	60.090452

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3866	3866	85.79
2	A₁	2592	2592	172.36
3	A₁	1789	1789	61.82
4	A₁	1197	1197	11.83
5	B₁	596	596	9.79
6	B₁	463i	463i	404.87
7	B₂	3990	3990	110.80
8	B₂	1254	1254	5.26
9	B₂	455	455	0.24

Atom	y (Å)	z (Å)
C1	0.000	0.226
N2	0.000	1.365
N3	0.000	-1.101
H4	0.855	-1.602
H5	-0.855	-1.602

All results from a given calculation for NH₂CN (cyanamide)

using model chemistry: CBS-Q

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		1.1393	1.3276	2.0182	2.0182
N2	1.1393		2.4669	3.0881	3.0881
N3	1.3276	2.4669		0.9911	0.9911
H4	2.0182	3.0881	0.9911		1.7110
H5	2.0182	3.0881	0.9911	1.7110

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N3	H4	120.323		C1	N3	H5	120.323
N2	C1	N3	180.000		H4	N3	H5	119.354

All results from a given calculation for NH2CN (cyanamide)

using model chemistry: CBS-Q

States and conformations

Conformer 1 (Cs)

Conformer 2 (C2V)

All results from a given calculation for NH₂CN (cyanamide)