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	hartrees
Energy at 0K	-409.107804
Energy at 298.15K	-409.106629
HF Energy	-409.107804
Nuclear repulsion energy	322.215636

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2377	2267	0.00
2	A₁	594	567	0.00
3	E	580	554	0.00
3	E	580	554	0.00
4	E	116	110	0.00
4	E	116	110	0.00
5	T₁	358	342	0.00
5	T₁	358	342	0.00
5	T₁	358	342	0.00
6	T₂	2369	2260	4.46
6	T₂	2369	2260	4.46
6	T₂	2369	2260	4.46
7	T₂	1086	1036	42.01
7	T₂	1086	1036	42.01
7	T₂	1086	1036	42.01
8	T₂	570	544	0.27
8	T₂	570	544	0.27
8	T₂	570	544	0.27
9	T₂	151	144	10.28
9	T₂	151	144	10.28
9	T₂	151	144	10.28

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	1.528	1.528	1.528
N7	-1.528	-1.528	1.528
N8	-1.528	1.528	-1.528
N9	1.528	-1.528	-1.528

	C1	C2	C3	C4	C5	N6	N7	N8	N9
C1		1.4812	1.4812	1.4812	1.4812	2.6463	2.6463	2.6463	2.6463
C2	1.4812		2.4188	2.4188	2.4188	1.1650	3.4365	3.4365	3.4365
C3	1.4812	2.4188		2.4188	2.4188	3.4365	1.1650	3.4365	3.4365
C4	1.4812	2.4188	2.4188		2.4188	3.4365	3.4365	1.1650	3.4365
C5	1.4812	2.4188	2.4188	2.4188		3.4365	3.4365	3.4365	1.1650
N6	2.6463	1.1650	3.4365	3.4365	3.4365		4.3213	4.3213	4.3213
N7	2.6463	3.4365	1.1650	3.4365	3.4365	4.3213		4.3213	4.3213
N8	2.6463	3.4365	3.4365	1.1650	3.4365	4.3213	4.3213		4.3213
N9	2.6463	3.4365	3.4365	3.4365	1.1650	4.3213	4.3213	4.3213

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: B1B95/6-31G

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	-0.214
2	C	0.237
3	C	0.237
4	C	0.237
5	C	0.237
6	N	-0.183
7	N	-0.183
8	N	-0.183
9	N	-0.183

<r²>	284.349
(<r²>)^1/2	16.863

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

using model chemistry: B1B95/6-31G

States and conformations

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