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	hartrees
Energy at 0K	-446.387522
Energy at 298.15K	-446.385554
HF Energy	-444.930901
Nuclear repulsion energy	370.371257

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	2249	2202
2	A_g	1598	1564
3	A_g	590	577
4	A_g	516	506
5	A_g	108	106
6	A_u	432	423
7	A_u	74	73
8	B_1g	349	342
9	B_1u	2264	2216
10	B_1u	951	930
11	B_1u	568	556
12	B_1u	137	134
13	B_2g	665	651
14	B_2g	242	237
15	B_2u	2259	2211
16	B_2u	1156	1131
17	B_2u	411	403
18	B_2u	99	97
19	B_3g	2255	2207
20	B_3g	1288	1260
21	B_3g	501	491
22	B_3g	237	232
23	B_3u	554	542
24	B_3u	144	141

Atom	y (Å)	z (Å)
C1	0.000	0.689
C2	0.000	-0.689
C3	1.240	1.440
C4	-1.240	1.440
C5	1.240	-1.440
C6	-1.240	-1.440
N7	2.243	2.061
N8	-2.243	2.061
N9	2.243	-2.061
N10	-2.243	-2.061

	C1	C2	C3	C4	C5	C6	N7	N8	N9	N10
C1		1.3786	1.4492	1.4492	2.4639	2.4639	2.6289	2.6289	3.5487	3.5487
C2	1.3786		2.4639	2.4639	1.4492	1.4492	3.5487	3.5487	2.6289	2.6289
C3	1.4492	2.4639		2.4791	2.8803	3.8003	1.1797	3.5372	3.6419	4.9380
C4	1.4492	2.4639	2.4791		3.8003	2.8803	3.5372	1.1797	4.9380	3.6419
C5	2.4639	1.4492	2.8803	3.8003		2.4791	3.6419	4.9380	1.1797	3.5372
C6	2.4639	1.4492	3.8003	2.8803	2.4791		4.9380	3.6419	3.5372	1.1797
N7	2.6289	3.5487	1.1797	3.5372	3.6419	4.9380		4.4856	4.1218	6.0917
N8	2.6289	3.5487	3.5372	1.1797	4.9380	3.6419	4.4856		6.0917	4.1218
N9	3.5487	2.6289	3.6419	4.9380	1.1797	3.5372	4.1218	6.0917		4.4856
N10	3.5487	2.6289	4.9380	3.6419	3.5372	1.1797	6.0917	4.1218	4.4856

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	121.204	C1	C2	C6	121.204
C1	C3	N7	179.456	C1	C4	N8	179.456
C2	C1	C3	121.204	C2	C1	C4	121.204
C2	C5	N9	179.456	C2	C6	N10	179.456
C3	C1	C4	117.591	C5	C2	C6	117.591

All results from a given calculation for C₆N₄ (Tetracyanoethylene)

using model chemistry: CCSD(T)/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 C6N4 (Tetracyanoethylene)

using model chemistry: CCSD(T)/cc-pVDZ

States and conformations

All results from a given calculation for C₆N₄ (Tetracyanoethylene)