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	hartrees
Energy at 0K	-409.304257
Energy at 298.15K	-409.303289
HF Energy	-409.304257
Nuclear repulsion energy	323.124613

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2467	2467	0.00
2	A₁	598	598	0.00
3	E	594	594	0.00
3	E	594	594	0.00
4	E	126	126	0.00
4	E	126	126	0.00
5	T₁	371	371	0.00
5	T₁	371	371	0.00
5	T₁	371	371	0.00
6	T₂	2461	2461	4.94
6	T₂	2461	2461	4.94
6	T₂	2461	2461	4.94
7	T₂	1114	1114	34.67
7	T₂	1114	1114	34.67
7	T₂	1114	1114	34.67
8	T₂	572	572	0.05
8	T₂	572	572	0.05
8	T₂	572	572	0.05
9	T₂	166	166	11.17
9	T₂	166	166	11.17
9	T₂	166	166	11.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.857	0.857	0.857
C3	-0.857	-0.857	0.857
C4	-0.857	0.857	-0.857
C5	0.857	-0.857	-0.857
N6	1.523	1.523	1.523
N7	-1.523	-1.523	1.523
N8	-1.523	1.523	-1.523
N9	1.523	-1.523	-1.523

	C1	C2	C3	C4	C5	N6	N7	N8	N9
C1		1.4843	1.4843	1.4843	1.4843	2.6378	2.6378	2.6378	2.6378
C2	1.4843		2.4238	2.4238	2.4238	1.1535	3.4309	3.4309	3.4309
C3	1.4843	2.4238		2.4238	2.4238	3.4309	1.1535	3.4309	3.4309
C4	1.4843	2.4238	2.4238		2.4238	3.4309	3.4309	1.1535	3.4309
C5	1.4843	2.4238	2.4238	2.4238		3.4309	3.4309	3.4309	1.1535
N6	2.6378	1.1535	3.4309	3.4309	3.4309		4.3075	4.3075	4.3075
N7	2.6378	3.4309	1.1535	3.4309	3.4309	4.3075		4.3075	4.3075
N8	2.6378	3.4309	3.4309	1.1535	3.4309	4.3075	4.3075		4.3075
N9	2.6378	3.4309	3.4309	3.4309	1.1535	4.3075	4.3075	4.3075

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: M06-2X/cc-pVDZ

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	-0.295
2	C	0.095
3	C	0.095
4	C	0.095
5	C	0.095
6	N	-0.021
7	N	-0.021
8	N	-0.021
9	N	-0.021

<r²>	282.628
(<r²>)^1/2	16.812

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

using model chemistry: M06-2X/cc-pVDZ

States and conformations

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