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	hartrees
Energy at 0K	-147.399641
Energy at 298.15K	-147.401506
HF Energy	-147.080682
Nuclear repulsion energy	58.662971

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3577	3467	55.33
2	A₁	2266	2197	58.39
3	A₁	1719	1666	65.82
4	A₁	1076	1043	12.87
5	B₁	481	466	9.07
6	B₁	183	177	459.05
7	B₂	3690	3577	61.15
8	B₂	1199	1162	4.21
9	B₂	429	416	0.50

Atom	y (Å)	z (Å)
C1	0.000	0.222
N2	0.000	1.402
N3	0.000	-1.125
H4	0.871	-1.637
H5	-0.871	-1.637

	C1	N2	N3	H4	H5
C1		1.1804	1.3467	2.0531	2.0531
N2	1.1804		2.5271	3.1618	3.1618
N3	1.3467	2.5271		1.0107	1.0107
H4	2.0531	3.1618	1.0107		1.7426
H5	2.0531	3.1618	1.0107	1.7426

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N3	H4	120.455		C1	N3	H5	120.455
N2	C1	N3	180.000		H4	N3	H5	119.090

All results from a given calculation for NH₂CN (cyanamide)

using model chemistry: QCISD/3-21G

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: QCISD/3-21G

States and conformations

Conformer 1 (Cs)

Conformer 2 (C2V)

All results from a given calculation for NH₂CN (cyanamide)