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	hartrees
Energy at 0K	-148.591830
Energy at 298.15K
HF Energy	-147.965120
Nuclear repulsion energy	59.456281

Atom	y (Å)	z (Å)
C1	0.000	0.220
N2	0.000	1.383
N3	0.000	-1.110
H4	0.863	-1.613
H5	-0.863	-1.613

	C1	N2	N3	H4	H5
C1		1.1629	1.3301	2.0259	2.0259
N2	1.1629		2.4930	3.1176	3.1176
N3	1.3301	2.4930		0.9989	0.9989
H4	2.0259	3.1176	0.9989		1.7263
H5	2.0259	3.1176	0.9989	1.7263

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N3	H4	120.220		C1	N3	H5	120.220
N2	C1	N3	180.000		H4	N3	H5	119.559

All results from a given calculation for NH₂CN (cyanamide)

using model chemistry: QCISD(TQ)=FULL/cc-pVTZ

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(TQ)=FULL/cc-pVTZ

States and conformations

Conformer 1 (Cs)

Conformer 2 (C2V)

All results from a given calculation for NH₂CN (cyanamide)