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	hartrees
Energy at 0K	-405.675397
Energy at 298.15K	-405.674623
HF Energy	-404.751168
Nuclear repulsion energy	319.661509

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2297	2208	0.00
2	A₁	575	552	0.00
3	E	630	606	0.00
3	E	630	606	0.00
4	E	134	128	0.00
4	E	134	128	0.00
5	T₁	419	402	0.00
5	T₁	419	402	0.00
5	T₁	419	402	0.00
6	T₂	2292	2203	14.09
6	T₂	2292	2203	14.09
6	T₂	2292	2203	14.09
7	T₂	1058	1017	32.80
7	T₂	1058	1017	32.80
7	T₂	1058	1017	32.80
8	T₂	585	562	0.18
8	T₂	585	562	0.18
8	T₂	585	562	0.18
9	T₂	173	166	9.62
9	T₂	173	166	9.62
9	T₂	173	166	9.62

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.863	0.863	0.863
C3	-0.863	-0.863	0.863
C4	-0.863	0.863	-0.863
C5	0.863	-0.863	-0.863
N6	1.540	1.540	1.540
N7	-1.540	-1.540	1.540
N8	-1.540	1.540	-1.540
N9	1.540	-1.540	-1.540

	C1	C2	C3	C4	C5	N6	N7	N8	N9
C1		1.4940	1.4940	1.4940	1.4940	2.6673	2.6673	2.6673	2.6673
C2	1.4940		2.4397	2.4397	2.4397	1.1732	3.4645	3.4645	3.4645
C3	1.4940	2.4397		2.4397	2.4397	3.4645	1.1732	3.4645	3.4645
C4	1.4940	2.4397	2.4397		2.4397	3.4645	3.4645	1.1732	3.4645
C5	1.4940	2.4397	2.4397	2.4397		3.4645	3.4645	3.4645	1.1732
N6	2.6673	1.1732	3.4645	3.4645	3.4645		4.3556	4.3556	4.3556
N7	2.6673	3.4645	1.1732	3.4645	3.4645	4.3556		4.3556	4.3556
N8	2.6673	3.4645	3.4645	1.1732	3.4645	4.3556	4.3556		4.3556
N9	2.6673	3.4645	3.4645	3.4645	1.1732	4.3556	4.3556	4.3556

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/3-21G*

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/3-21G*

States and conformations

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