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	hartrees
Energy at 0K	-148.170416
Energy at 298.15K	-148.172282
HF Energy	-147.854103
Nuclear repulsion energy	57.584145

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3639	3504	77.14
2	A₁	2179	2099	86.01
3	A₁	1694	1631	73.57
4	A₁	1039	1000	16.15
5	B₁	446	430	1.91
6	B₁	236	228	504.22
7	B₂	3783	3643	79.18
8	B₂	1176	1132	6.89
9	B₂	396	382	0.55

Atom	y (Å)	z (Å)
C1	0.000	0.220
N2	0.000	1.434
N3	0.000	-1.148
H4	0.874	-1.659
H5	-0.874	-1.659

	C1	N2	N3	H4	H5
C1		1.2139	1.3682	2.0726	2.0726
N2	1.2139		2.5821	3.2143	3.2143
N3	1.3682	2.5821		1.0124	1.0124
H4	2.0726	3.2143	1.0124		1.7479
H5	2.0726	3.2143	1.0124	1.7479

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	119.355

All results from a given calculation for NH₂CN (cyanamide)

using model chemistry: MP2/LANL2DZ

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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All results from a given calculation for NH2CN (cyanamide)

using model chemistry: MP2/LANL2DZ

States and conformations

Conformer 1 (Cs)

Conformer 2 (C2V)

All results from a given calculation for NH₂CN (cyanamide)