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	hartrees
Energy at 0K	-408.322466
Energy at 298.15K	-408.321055
HF Energy	-407.033131
Nuclear repulsion energy	320.794755

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2350	2221	0.00
2	A₁	587	555	0.00
3	E	558	528	0.00
3	E	558	528	0.00
4	E	109	103	0.00
4	E	109	103	0.00
5	T₁	321	304	0.00
5	T₁	321	304	0.00
5	T₁	321	304	0.00
6	T₂	2346	2218	12.03
6	T₂	2346	2218	12.03
6	T₂	2346	2218	12.03
7	T₂	1103	1043	38.45
7	T₂	1103	1043	38.45
7	T₂	1103	1043	38.45
8	T₂	552	522	0.04
8	T₂	552	522	0.04
8	T₂	552	522	0.04
9	T₂	144	136	13.11
9	T₂	144	136	13.11
9	T₂	144	136	13.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.861	0.861	0.861
C3	-0.861	-0.861	0.861
C4	-0.861	0.861	-0.861
C5	0.861	-0.861	-0.861
N6	1.534	1.534	1.534
N7	-1.534	-1.534	1.534
N8	-1.534	1.534	-1.534
N9	1.534	-1.534	-1.534

	C1	C2	C3	C4	C5	N6	N7	N8	N9
C1		1.4905	1.4905	1.4905	1.4905	2.6576	2.6576	2.6576	2.6576
C2	1.4905		2.4340	2.4340	2.4340	1.1670	3.4533	3.4533	3.4533
C3	1.4905	2.4340		2.4340	2.4340	3.4533	1.1670	3.4533	3.4533
C4	1.4905	2.4340	2.4340		2.4340	3.4533	3.4533	1.1670	3.4533
C5	1.4905	2.4340	2.4340	2.4340		3.4533	3.4533	3.4533	1.1670
N6	2.6576	1.1670	3.4533	3.4533	3.4533		4.3398	4.3398	4.3398
N7	2.6576	3.4533	1.1670	3.4533	3.4533	4.3398		4.3398	4.3398
N8	2.6576	3.4533	3.4533	1.1670	3.4533	4.3398	4.3398		4.3398
N9	2.6576	3.4533	3.4533	3.4533	1.1670	4.3398	4.3398	4.3398

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

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

States and conformations

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