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	hartrees
Energy at 0K	-147.365525
Energy at 298.15K	-147.367541
HF Energy	-147.083049
Nuclear repulsion energy	59.128700

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3654	3400	63.69
2	A₁	2396	2230	79.66
3	A₁	1748	1627	72.26
4	A₁	1114	1037	12.75
5	B₁	510	475	16.87
6	B₁	256	238	468.20
7	B₂	3767	3505	72.65
8	B₂	1225	1140	5.44
9	B₂	453	421	0.19

Atom	y (Å)	z (Å)
C1	0.000	0.223
N2	0.000	1.390
N3	0.000	-1.116
H4	0.867	-1.627
H5	-0.867	-1.627

	C1	N2	N3	H4	H5
C1		1.1665	1.3398	2.0429	2.0429
N2	1.1665		2.5062	3.1384	3.1384
N3	1.3398	2.5062		1.0059	1.0059
H4	2.0429	3.1384	1.0059		1.7339
H5	2.0429	3.1384	1.0059	1.7339

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N3	H4	120.471		C1	N3	H5	120.471
N2	C1	N3	180.000		H4	N3	H5	119.057

All results from a given calculation for NH₂CN (cyanamide)

using model chemistry: CID/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: CID/3-21G*

States and conformations

Conformer 1 (Cs)

Conformer 2 (C2V)

All results from a given calculation for NH₂CN (cyanamide)