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	hartrees
Energy at 0K	-409.320129
Energy at 298.15K	-409.319076
HF Energy	-409.320129
Nuclear repulsion energy	323.142986

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2456	2456	0.00
2	A₁	593	593	0.00
3	E	587	587	0.00
3	E	587	587	0.00
4	E	123	123	0.00
4	E	123	123	0.00
5	T₁	358	358	0.00
5	T₁	358	358	0.00
5	T₁	358	358	0.00
6	T₂	2450	2450	5.66
6	T₂	2450	2450	5.66
6	T₂	2450	2450	5.66
7	T₂	1106	1106	32.35
7	T₂	1106	1106	32.35
7	T₂	1106	1106	32.35
8	T₂	565	565	0.45
8	T₂	565	565	0.45
8	T₂	565	565	0.45
9	T₂	162	162	13.85
9	T₂	162	162	13.85
9	T₂	162	162	13.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.857	0.857	0.857
C3	-0.857	-0.857	0.857
C4	-0.857	0.857	-0.857
C5	0.857	-0.857	-0.857
N6	1.523	1.523	1.523
N7	-1.523	-1.523	1.523
N8	-1.523	1.523	-1.523
N9	1.523	-1.523	-1.523

	C1	C2	C3	C4	C5	N6	N7	N8	N9
C1		1.4850	1.4850	1.4850	1.4850	2.6375	2.6375	2.6375	2.6375
C2	1.4850		2.4251	2.4251	2.4251	1.1525	3.4312	3.4312	3.4312
C3	1.4850	2.4251		2.4251	2.4251	3.4312	1.1525	3.4312	3.4312
C4	1.4850	2.4251	2.4251		2.4251	3.4312	3.4312	1.1525	3.4312
C5	1.4850	2.4251	2.4251	2.4251		3.4312	3.4312	3.4312	1.1525
N6	2.6375	1.1525	3.4312	3.4312	3.4312		4.3071	4.3071	4.3071
N7	2.6375	3.4312	1.1525	3.4312	3.4312	4.3071		4.3071	4.3071
N8	2.6375	3.4312	3.4312	1.1525	3.4312	4.3071	4.3071		4.3071
N9	2.6375	3.4312	3.4312	3.4312	1.1525	4.3071	4.3071	4.3071

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: M06-2X/aug-cc-pVDZ

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	1.298
2	C	-0.145
3	C	-0.145
4	C	-0.145
5	C	-0.145
6	N	-0.180
7	N	-0.180
8	N	-0.180
9	N	-0.180

<r²>	283.456
(<r²>)^1/2	16.836

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

using model chemistry: M06-2X/aug-cc-pVDZ

States and conformations

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