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	hartrees
Energy at 0K	-409.307596
Energy at 298.15K	-409.306395
HF Energy	-409.307596
Nuclear repulsion energy	323.160947

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2415	2315	0.00
2	A₁	598	573	0.00
3	E	578	554	0.00
3	E	578	554	0.00
4	E	113	108	0.00
4	E	113	108	0.00
5	T₁	352	338	0.00
5	T₁	352	338	0.00
5	T₁	352	338	0.00
6	T₂	2409	2309	5.36
6	T₂	2409	2309	5.36
6	T₂	2409	2309	5.36
7	T₂	1101	1056	35.22
7	T₂	1101	1056	35.22
7	T₂	1101	1056	35.22
8	T₂	561	538	0.00
8	T₂	561	538	0.00
8	T₂	561	538	0.00
9	T₂	148	142	11.51
9	T₂	148	142	11.51
9	T₂	148	142	11.51

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.855	0.855	0.855
C3	-0.855	-0.855	0.855
C4	-0.855	0.855	-0.855
C5	0.855	-0.855	-0.855
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		1.4813	1.4813	1.4813	1.4813	2.6379	2.6379	2.6379	2.6379
C2	1.4813		2.4190	2.4190	2.4190	1.1565	3.4290	3.4290	3.4290
C3	1.4813	2.4190		2.4190	2.4190	3.4290	1.1565	3.4290	3.4290
C4	1.4813	2.4190	2.4190		2.4190	3.4290	3.4290	1.1565	3.4290
C5	1.4813	2.4190	2.4190	2.4190		3.4290	3.4290	3.4290	1.1565
N6	2.6379	1.1565	3.4290	3.4290	3.4290		4.3076	4.3076	4.3076
N7	2.6379	3.4290	1.1565	3.4290	3.4290	4.3076		4.3076	4.3076
N8	2.6379	3.4290	3.4290	1.1565	3.4290	4.3076	4.3076		4.3076
N9	2.6379	3.4290	3.4290	3.4290	1.1565	4.3076	4.3076	4.3076

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: mPW1PW91/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	-0.329
2	C	0.149
3	C	0.149
4	C	0.149
5	C	0.149
6	N	-0.066
7	N	-0.066
8	N	-0.066
9	N	-0.066

<r²>	282.370
(<r²>)^1/2	16.804

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

using model chemistry: mPW1PW91/cc-pVDZ

States and conformations

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