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	hartrees
Energy at 0K	-409.282307
Energy at 298.15K	-409.281040
HF Energy	-408.739060
Nuclear repulsion energy	323.720292

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2305	2203	0.00
2	A₁	587	561	0.00
3	E	573	548	0.00
3	E	573	548	0.00
4	E	112	107	0.00
4	E	112	107	0.00
5	T₁	341	326	0.00
5	T₁	341	326	0.00
5	T₁	341	326	0.00
6	T₂	2300	2198	14.19
6	T₂	2300	2198	14.19
6	T₂	2300	2198	14.19
7	T₂	1078	1030	30.97
7	T₂	1078	1030	30.97
7	T₂	1078	1030	30.97
8	T₂	556	532	0.05
8	T₂	556	532	0.05
8	T₂	556	532	0.05
9	T₂	147	141	13.33
9	T₂	147	141	13.33
9	T₂	147	141	13.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.853	0.853	0.853
C3	-0.853	-0.853	0.853
C4	-0.853	0.853	-0.853
C5	0.853	-0.853	-0.853
N6	1.520	1.520	1.520
N7	-1.520	-1.520	1.520
N8	-1.520	1.520	-1.520
N9	1.520	-1.520	-1.520

	C1	C2	C3	C4	C5	N6	N7	N8	N9
C1		1.4781	1.4781	1.4781	1.4781	2.6334	2.6334	2.6334	2.6334
C2	1.4781		2.4137	2.4137	2.4137	1.1553	3.4227	3.4227	3.4227
C3	1.4781	2.4137		2.4137	2.4137	3.4227	1.1553	3.4227	3.4227
C4	1.4781	2.4137	2.4137		2.4137	3.4227	3.4227	1.1553	3.4227
C5	1.4781	2.4137	2.4137	2.4137		3.4227	3.4227	3.4227	1.1553
N6	2.6334	1.1553	3.4227	3.4227	3.4227		4.3003	4.3003	4.3003
N7	2.6334	3.4227	1.1553	3.4227	3.4227	4.3003		4.3003	4.3003
N8	2.6334	3.4227	3.4227	1.1553	3.4227	4.3003	4.3003		4.3003
N9	2.6334	3.4227	3.4227	3.4227	1.1553	4.3003	4.3003	4.3003

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N6	180.000	C1	C3	N7	180.000
C1	C4	N8	180.000	C1	C5	N9	180.000
C2	C1	C3	109.471	C2	C1	C4	109.471
C2	C1	C5	109.471	C3	C1	C4	109.471
C3	C1	C5	109.471	C4	C1	C5	109.471

All results from a given calculation for C(CN)₄ (tetracyanomethane)

using model chemistry: B2PLYP=FULL/cc-pVTZ

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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All results from a given calculation for C(CN)4 (tetracyanomethane)

using model chemistry: B2PLYP=FULL/cc-pVTZ

States and conformations

All results from a given calculation for C(CN)₄ (tetracyanomethane)