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	hartrees
Energy at 0K	-409.461131
Energy at 298.15K	-409.459653
HF Energy	-409.461131
Nuclear repulsion energy	321.336123

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2278	2272	0.00
2	A₁	561	559	0.00
3	E	547	546	0.00
3	E	547	546	0.00
4	E	108	108	0.00
4	E	108	108	0.00
5	T₁	328	327	0.00
5	T₁	328	327	0.00
5	T₁	328	327	0.00
6	T₂	2266	2259	10.16
6	T₂	2266	2259	10.16
6	T₂	2266	2259	10.16
7	T₂	1005	1002	31.59
7	T₂	1005	1002	31.59
7	T₂	1005	1002	31.59
8	T₂	535	533	0.01
8	T₂	535	533	0.01
8	T₂	535	533	0.01
9	T₂	142	142	11.67
9	T₂	142	142	11.67
9	T₂	142	142	11.67

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.862	0.862	0.862
C3	-0.862	-0.862	0.862
C4	-0.862	0.862	-0.862
C5	0.862	-0.862	-0.862
N6	1.531	1.531	1.531
N7	-1.531	-1.531	1.531
N8	-1.531	1.531	-1.531
N9	1.531	-1.531	-1.531

	C1	C2	C3	C4	C5	N6	N7	N8	N9
C1		1.4926	1.4926	1.4926	1.4926	2.6525	2.6525	2.6525	2.6525
C2	1.4926		2.4374	2.4374	2.4374	1.1599	3.4500	3.4500	3.4500
C3	1.4926	2.4374		2.4374	2.4374	3.4500	1.1599	3.4500	3.4500
C4	1.4926	2.4374	2.4374		2.4374	3.4500	3.4500	1.1599	3.4500
C5	1.4926	2.4374	2.4374	2.4374		3.4500	3.4500	3.4500	1.1599
N6	2.6525	1.1599	3.4500	3.4500	3.4500		4.3315	4.3315	4.3315
N7	2.6525	3.4500	1.1599	3.4500	3.4500	4.3315		4.3315	4.3315
N8	2.6525	3.4500	3.4500	1.1599	3.4500	4.3315	4.3315		4.3315
N9	2.6525	3.4500	3.4500	3.4500	1.1599	4.3315	4.3315	4.3315

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: BLYP/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	0.083
2	C	-0.031
3	C	-0.031
4	C	-0.031
5	C	-0.031
6	N	0.010
7	N	0.010
8	N	0.010
9	N	0.010

<r²>	286.164
(<r²>)^1/2	16.916

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

using model chemistry: BLYP/cc-pVTZ

States and conformations

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