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	hartrees
Energy at 0K	-409.417817
Energy at 298.15K	-409.416403
HF Energy	-409.417817
Nuclear repulsion energy	321.564955

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2356	2268	0.00
2	A₁	578	556	0.00
3	E	558	537	0.00
3	E	558	537	0.00
4	E	108	104	0.00
4	E	108	104	0.00
5	T₁	336	324	0.00
5	T₁	336	324	0.00
5	T₁	336	324	0.00
6	T₂	2348	2260	7.89
6	T₂	2348	2260	7.89
6	T₂	2348	2260	7.89
7	T₂	1055	1015	40.91
7	T₂	1055	1015	40.91
7	T₂	1055	1015	40.91
8	T₂	543	523	0.09
8	T₂	543	523	0.09
8	T₂	543	523	0.09
9	T₂	143	137	11.69
9	T₂	143	137	11.69
9	T₂	143	137	11.69

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.859	0.859	0.859
C3	-0.859	-0.859	0.859
C4	-0.859	0.859	-0.859
C5	0.859	-0.859	-0.859
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		1.4885	1.4885	1.4885	1.4885	2.6510	2.6510	2.6510	2.6510
C2	1.4885		2.4307	2.4307	2.4307	1.1625	3.4459	3.4459	3.4459
C3	1.4885	2.4307		2.4307	2.4307	3.4459	1.1625	3.4459	3.4459
C4	1.4885	2.4307	2.4307		2.4307	3.4459	3.4459	1.1625	3.4459
C5	1.4885	2.4307	2.4307	2.4307		3.4459	3.4459	3.4459	1.1625
N6	2.6510	1.1625	3.4459	3.4459	3.4459		4.3290	4.3290	4.3290
N7	2.6510	3.4459	1.1625	3.4459	3.4459	4.3290		4.3290	4.3290
N8	2.6510	3.4459	3.4459	1.1625	3.4459	4.3290	4.3290		4.3290
N9	2.6510	3.4459	3.4459	3.4459	1.1625	4.3290	4.3290	4.3290

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: TPSSh/6-31+G**

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	0.653
2	C	0.136
3	C	0.136
4	C	0.136
5	C	0.136
6	N	-0.300
7	N	-0.300
8	N	-0.300
9	N	-0.300

<r²>	285.684
(<r²>)^1/2	16.902

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

using model chemistry: TPSSh/6-31+G**

States and conformations

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