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	hartrees
Energy at 0K	-146.772666
Energy at 298.15K	-146.772338
HF Energy	-146.772666
Nuclear repulsion energy	46.910946

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	1238	1238	0.00
2	Σ_u	1418	1418	419.72
3	Π_u	401	401	12.94
3	Π_u	401	401	12.94

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
N2	0.000	0.000	1.224
N3	0.000	0.000	-1.224

	C1	N2	N3
C1		1.2239	1.2239
N2	1.2239		2.4479
N3	1.2239	2.4479

Number	Element	Mulliken
1	C	0.720
2	N	-0.360
3	N	-0.360

All results from a given calculation for NCN (Cyanoimidogen)

using model chemistry: ROHF/aug-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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<r²>	31.804
(<r²>)^1/2	5.640