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	hartrees
Energy at 0K	-446.370889
Energy at 298.15K	-446.368784
HF Energy	-444.899693
Nuclear repulsion energy	372.133224

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	2274	2188
2	A_g	1605	1544
3	A_g	593	570
4	A_g	521	501
5	A_g	108	103
6	A_u	420	404
7	A_u	73	70
8	B_1g	346	333
9	B_1u	2289	2202
10	B_1u	957	921
11	B_1u	567	545
12	B_1u	137	132
13	B_2g	572	551
14	B_2g	237	228
15	B_2u	2283	2196
16	B_2u	1161	1117
17	B_2u	413	397
18	B_2u	99	95
19	B_3g	2278	2192
20	B_3g	1300	1250
21	B_3g	503	484
22	B_3g	235	226
23	B_3u	542	522
24	B_3u	144	139

Atom	y (Å)	z (Å)
C1	0.000	0.686
C2	0.000	-0.686
C3	1.232	1.434
C4	-1.232	1.434
C5	1.232	-1.434
C6	-1.232	-1.434
N7	2.233	2.050
N8	-2.233	2.050
N9	2.233	-2.050
N10	-2.233	-2.050

	C1	C2	C3	C4	C5	C6	N7	N8	N9	N10
C1		1.3713	1.4414	1.4414	2.4517	2.4517	2.6168	2.6168	3.5314	3.5314
C2	1.3713		2.4517	2.4517	1.4414	1.4414	3.5314	3.5314	2.6168	2.6168
C3	1.4414	2.4517		2.4637	2.8681	3.7810	1.1754	3.5191	3.6252	4.9137
C4	1.4414	2.4517	2.4637		3.7810	2.8681	3.5191	1.1754	4.9137	3.6252
C5	2.4517	1.4414	2.8681	3.7810		2.4637	3.6252	4.9137	1.1754	3.5191
C6	2.4517	1.4414	3.7810	2.8681	2.4637		4.9137	3.6252	3.5191	1.1754
N7	2.6168	3.5314	1.1754	3.5191	3.6252	4.9137		4.4657	4.1004	6.0627
N8	2.6168	3.5314	3.5191	1.1754	4.9137	3.6252	4.4657		6.0627	4.1004
N9	3.5314	2.6168	3.6252	4.9137	1.1754	3.5191	4.1004	6.0627		4.4657
N10	3.5314	2.6168	4.9137	3.6252	3.5191	1.1754	6.0627	4.1004	4.4657

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	121.280	C1	C2	C6	121.280
C1	C3	N7	179.666	C1	C4	N8	179.666
C2	C1	C3	121.280	C2	C1	C4	121.280
C2	C5	N9	179.666	C2	C6	N10	179.666
C3	C1	C4	117.440	C5	C2	C6	117.440

All results from a given calculation for C₆N₄ (Tetracyanoethylene)

using model chemistry: CCSD(T)/6-31G*

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)/6-31G*

States and conformations

All results from a given calculation for C₆N₄ (Tetracyanoethylene)