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	hartrees
Energy at 0K	-408.398108
Energy at 298.15K	-408.396655
HF Energy	-407.055647
Nuclear repulsion energy	319.024179

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2137	2071	0.00
2	A₁	584	566	0.00
3	E	553	536	0.00
3	E	553	536	0.00
4	E	107	104	0.00
4	E	107	104	0.00
5	T₁	321	311	0.00
5	T₁	321	311	0.00
5	T₁	321	311	0.00
6	T₂	2145	2079	31.23
6	T₂	2145	2079	31.23
6	T₂	2145	2079	31.23
7	T₂	1078	1045	26.78
7	T₂	1078	1045	26.78
7	T₂	1078	1045	26.78
8	T₂	541	524	0.05
8	T₂	541	524	0.05
8	T₂	541	524	0.05
9	T₂	139	135	12.87
9	T₂	139	135	12.87
9	T₂	139	135	12.87

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.858	0.858	0.858
C3	-0.858	-0.858	0.858
C4	-0.858	0.858	-0.858
C5	0.858	-0.858	-0.858
N6	1.544	1.544	1.544
N7	-1.544	-1.544	1.544
N8	-1.544	1.544	-1.544
N9	1.544	-1.544	-1.544

	C1	C2	C3	C4	C5	N6	N7	N8	N9
C1		1.4868	1.4868	1.4868	1.4868	2.6742	2.6742	2.6742	2.6742
C2	1.4868		2.4279	2.4279	2.4279	1.1874	3.4659	3.4659	3.4659
C3	1.4868	2.4279		2.4279	2.4279	3.4659	1.1874	3.4659	3.4659
C4	1.4868	2.4279	2.4279		2.4279	3.4659	3.4659	1.1874	3.4659
C5	1.4868	2.4279	2.4279	2.4279		3.4659	3.4659	3.4659	1.1874
N6	2.6742	1.1874	3.4659	3.4659	3.4659		4.3669	4.3669	4.3669
N7	2.6742	3.4659	1.1874	3.4659	3.4659	4.3669		4.3669	4.3669
N8	2.6742	3.4659	3.4659	1.1874	3.4659	4.3669	4.3669		4.3669
N9	2.6742	3.4659	3.4659	3.4659	1.1874	4.3669	4.3669	4.3669

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: MP2=FULL/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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All results from a given calculation for C(CN)4 (tetracyanomethane)

using model chemistry: MP2=FULL/aug-cc-pVDZ

States and conformations

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