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	hartrees
Energy at 0K	-403.619807
Energy at 298.15K	-403.618019
HF Energy	-403.355204
Nuclear repulsion energy	312.002802

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2264	2264	0.00
2	A₁	577	577	0.00
3	E	569	569	0.00
3	E	569	569	0.00
4	E	111	111	0.00
4	E	111	111	0.00
5	T₁	352	352	0.00
5	T₁	352	352	0.00
5	T₁	352	352	0.00
6	T₂	2255	2255	75.02
6	T₂	2255	2255	75.02
6	T₂	2255	2255	75.02
7	T₂	1095	1095	22.47
7	T₂	1095	1095	22.47
7	T₂	1095	1095	22.47
8	T₂	558	558	0.02
8	T₂	558	558	0.02
8	T₂	558	558	0.02
9	T₂	144	144	7.67
9	T₂	144	144	7.67
9	T₂	144	144	7.67

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.880	0.880	0.880
C3	-0.880	-0.880	0.880
C4	-0.880	0.880	-0.880
C5	0.880	-0.880	-0.880
N6	1.578	1.578	1.578
N7	-1.578	-1.578	1.578
N8	-1.578	1.578	-1.578
N9	1.578	-1.578	-1.578

	C1	C2	C3	C4	C5	N6	N7	N8	N9
C1		1.5246	1.5246	1.5246	1.5246	2.7336	2.7336	2.7336	2.7336
C2	1.5246		2.4897	2.4897	2.4897	1.2090	3.5462	3.5462	3.5462
C3	1.5246	2.4897		2.4897	2.4897	3.5462	1.2090	3.5462	3.5462
C4	1.5246	2.4897	2.4897		2.4897	3.5462	3.5462	1.2090	3.5462
C5	1.5246	2.4897	2.4897	2.4897		3.5462	3.5462	3.5462	1.2090
N6	2.7336	1.2090	3.5462	3.5462	3.5462		4.4640	4.4640	4.4640
N7	2.7336	3.5462	1.2090	3.5462	3.5462	4.4640		4.4640	4.4640
N8	2.7336	3.5462	3.5462	1.2090	3.5462	4.4640	4.4640		4.4640
N9	2.7336	3.5462	3.5462	3.5462	1.2090	4.4640	4.4640	4.4640

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: B2PLYP=FULL/STO-3G

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: B2PLYP=FULL/STO-3G

States and conformations

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