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	hartrees
Energy at 0K	-147.980223
Energy at 298.15K	-147.982654
Nuclear repulsion energy	60.254116

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3769	3424	55.60
2	A'	2576	2340	144.06
3	A'	1771	1608	43.16
4	A'	1147	1042	7.80
5	A'	676	614	183.72
6	A'	541	491	71.87
7	A"	3869	3514	76.74
8	A"	1310	1190	0.03
9	A"	470	427	1.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.227	0.000
N2	-0.061	1.354	0.000
N3	0.119	-1.106	0.000
H4	-0.200	-1.549	0.831
H5	-0.200	-1.549	-0.831

	C1	N2	N3	H4	H5
C1		1.1285	1.3386	1.9709	1.9709
N2	1.1285		2.4667	3.0225	3.0225
N3	1.3386	2.4667		0.9942	0.9942
H4	1.9709	3.0225	0.9942		1.6627
H5	1.9709	3.0225	0.9942	1.6627

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N3	H4	114.516		C1	N3	H5	114.516
N2	C1	N3	178.037		H4	N3	H5	113.484

All results from a given calculation for NH₂CN (cyanamide)

using model chemistry: HF/cc-pVQZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	0.264
2	N	-0.271
3	N	-0.417
4	H	0.212
5	H	0.212

	x	y	z	Total
	-0.857	-4.576	0.000	4.655
CHELPG
AIM
ESP

	x	y	z
x	2.528	-0.071	0.000
y	-0.071	4.895	0.000
z	0.000	0.000	2.732

<r²>	39.042
(<r²>)^1/2	6.248

All results from a given calculation for NH2CN (cyanamide)

using model chemistry: HF/cc-pVQZ

States and conformations

All results from a given calculation for NH₂CN (cyanamide)