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	hartrees
Energy at 0K	-408.304848
Energy at 298.15K	-408.303598
HF Energy	-407.063921
Nuclear repulsion energy	321.245436

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2469	2321	0.00
2	A₁	597	561	0.00
3	E	579	544	0.00
3	E	579	544	0.00
4	E	113	106	0.00
4	E	113	106	0.00
5	T₁	335	315	0.00
5	T₁	335	315	0.00
5	T₁	335	315	0.00
6	T₂	2455	2309	7.89
6	T₂	2455	2309	7.89
6	T₂	2455	2309	7.89
7	T₂	1124	1057	39.25
7	T₂	1124	1057	39.25
7	T₂	1124	1057	39.25
8	T₂	564	531	0.00
8	T₂	564	531	0.00
8	T₂	564	531	0.00
9	T₂	147	138	12.28
9	T₂	147	138	12.28
9	T₂	147	138	12.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.000
C2	0.862	0.862	0.862
C3	-0.862	-0.862	0.862
C4	-0.862	0.862	-0.862
C5	0.862	-0.862	-0.862
N6	1.532	1.532	1.532
N7	-1.532	-1.532	1.532
N8	-1.532	1.532	-1.532
N9	1.532	-1.532	-1.532

	C1	C2	C3	C4	C5	N6	N7	N8	N9
C1		1.4937	1.4937	1.4937	1.4937	2.6531	2.6531	2.6531	2.6531
C2	1.4937		2.4392	2.4392	2.4392	1.1594	3.4514	3.4514	3.4514
C3	1.4937	2.4392		2.4392	2.4392	3.4514	1.1594	3.4514	3.4514
C4	1.4937	2.4392	2.4392		2.4392	3.4514	3.4514	1.1594	3.4514
C5	1.4937	2.4392	2.4392	2.4392		3.4514	3.4514	3.4514	1.1594
N6	2.6531	1.1594	3.4514	3.4514	3.4514		4.3325	4.3325	4.3325
N7	2.6531	3.4514	1.1594	3.4514	3.4514	4.3325		4.3325	4.3325
N8	2.6531	3.4514	3.4514	1.1594	3.4514	4.3325	4.3325		4.3325
N9	2.6531	3.4514	3.4514	3.4514	1.1594	4.3325	4.3325	4.3325

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: MP3=FULL/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: MP3=FULL/cc-pVDZ

States and conformations

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