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	hartrees
Energy at 0K	-408.840945
Energy at 298.15K	-408.839501
HF Energy	-407.154652
Nuclear repulsion energy	324.090307

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2198	2091	0.00
2	A₁	596	567	0.00
3	E	549	523	0.00
3	E	549	523	0.00
4	E	109	104	0.00
4	E	109	104	0.00
5	T₁	321	306	0.00
5	T₁	321	306	0.00
5	T₁	321	306	0.00
6	T₂	2206	2099	24.52
6	T₂	2206	2099	24.52
6	T₂	2206	2099	24.52
7	T₂	1085	1033	23.67
7	T₂	1085	1033	23.67
7	T₂	1085	1033	23.67
8	T₂	537	511	0.00
8	T₂	537	511	0.00
8	T₂	537	511	0.00
9	T₂	139	133	13.92
9	T₂	139	133	13.92
9	T₂	139	133	13.92

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.846	0.846	0.846
C3	-0.846	-0.846	0.846
C4	-0.846	0.846	-0.846
C5	0.846	-0.846	-0.846
N6	1.520	1.520	1.520
N7	-1.520	-1.520	1.520
N8	-1.520	1.520	-1.520
N9	1.520	-1.520	-1.520

	C1	C2	C3	C4	C5	N6	N7	N8	N9
C1		1.4654	1.4654	1.4654	1.4654	2.6321	2.6321	2.6321	2.6321
C2	1.4654		2.3930	2.3930	2.3930	1.1667	3.4127	3.4127	3.4127
C3	1.4654	2.3930		2.3930	2.3930	3.4127	1.1667	3.4127	3.4127
C4	1.4654	2.3930	2.3930		2.3930	3.4127	3.4127	1.1667	3.4127
C5	1.4654	2.3930	2.3930	2.3930		3.4127	3.4127	3.4127	1.1667
N6	2.6321	1.1667	3.4127	3.4127	3.4127		4.2982	4.2982	4.2982
N7	2.6321	3.4127	1.1667	3.4127	3.4127	4.2982		4.2982	4.2982
N8	2.6321	3.4127	3.4127	1.1667	3.4127	4.2982	4.2982		4.2982
N9	2.6321	3.4127	3.4127	3.4127	1.1667	4.2982	4.2982	4.2982

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-pVTZ

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-pVTZ

States and conformations

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