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	hartrees
Energy at 0K	-148.382635
Energy at 298.15K
HF Energy	-147.921243
Nuclear repulsion energy	59.098262

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3708	3486	76.98
2	A₁	2430	2285	118.80
3	A₁	1620	1524	46.02
4	A₁	1144	1076	13.15
5	B₁	516	485	0.09
6	B₁	560i	526i	279.01
7	B₂	3842	3613	103.79
8	B₂	1141	1073	1.79
9	B₂	400	376	0.05

Atom	y (Å)	z (Å)
C1	0.000	0.222
N2	0.000	1.390
N3	0.000	-1.117
H4	0.871	-1.622
H5	-0.871	-1.622

	C1	N2	N3	H4	H5
C1		1.1677	1.3399	2.0399	2.0399
N2	1.1677		2.5076	3.1356	3.1356
N3	1.3399	2.5076		1.0069	1.0069
H4	2.0399	3.1356	1.0069		1.7428
H5	2.0399	3.1356	1.0069	1.7428

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N3	H4	120.068		C1	N3	H5	120.068
N2	C1	N3	180.000		H4	N3	H5	119.864

All results from a given calculation for NH₂CN (cyanamide)

using model chemistry: MP3=FULL/cc-pVDZ

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: MP3=FULL/cc-pVDZ

States and conformations

Conformer 1 (Cs)

Conformer 2 (C2V)

All results from a given calculation for NH₂CN (cyanamide)