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	hartrees
Energy at 0K	-409.349250
Energy at 298.15K	-409.348010
HF Energy	-409.349250
Nuclear repulsion energy	324.444070

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2390	2299	0.00
2	A₁	588	565	0.00
3	E	575	553	0.00
3	E	575	553	0.00
4	E	112	107	0.00
4	E	112	107	0.00
5	T₁	348	334	0.00
5	T₁	348	334	0.00
5	T₁	348	334	0.00
6	T₂	2382	2290	7.03
6	T₂	2382	2290	7.03
6	T₂	2382	2290	7.03
7	T₂	1077	1036	31.12
7	T₂	1077	1036	31.12
7	T₂	1077	1036	31.12
8	T₂	558	537	0.15
8	T₂	558	537	0.15
8	T₂	558	537	0.15
9	T₂	147	142	13.27
9	T₂	147	142	13.27
9	T₂	147	142	13.27

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.854	0.854	0.854
C3	-0.854	-0.854	0.854
C4	-0.854	0.854	-0.854
C5	0.854	-0.854	-0.854
N6	1.517	1.517	1.517
N7	-1.517	-1.517	1.517
N8	-1.517	1.517	-1.517
N9	1.517	-1.517	-1.517

	C1	C2	C3	C4	C5	N6	N7	N8	N9
C1		1.4790	1.4790	1.4790	1.4790	2.6270	2.6270	2.6270	2.6270
C2	1.4790		2.4152	2.4152	2.4152	1.1480	3.4174	3.4174	3.4174
C3	1.4790	2.4152		2.4152	2.4152	3.4174	1.1480	3.4174	3.4174
C4	1.4790	2.4152	2.4152		2.4152	3.4174	3.4174	1.1480	3.4174
C5	1.4790	2.4152	2.4152	2.4152		3.4174	3.4174	3.4174	1.1480
N6	2.6270	1.1480	3.4174	3.4174	3.4174		4.2898	4.2898	4.2898
N7	2.6270	3.4174	1.1480	3.4174	3.4174	4.2898		4.2898	4.2898
N8	2.6270	3.4174	3.4174	1.1480	3.4174	4.2898	4.2898		4.2898
N9	2.6270	3.4174	3.4174	3.4174	1.1480	4.2898	4.2898	4.2898

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: B3PW91/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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Number	Element	Mulliken
1	C	-0.002
2	C	0.018
3	C	0.018
4	C	0.018
5	C	0.018
6	N	-0.017
7	N	-0.017
8	N	-0.017
9	N	-0.017

<r²>	281.087
(<r²>)^1/2	16.766

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

using model chemistry: B3PW91/cc-pVTZ

States and conformations

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