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	hartrees
Energy at 0K	-445.938353
Energy at 298.15K	-445.936944
HF Energy	-444.916793
Nuclear repulsion energy	377.345043

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2534	2340	0.00
2	A_g	1778	1643	0.00
3	A_g	641	592	0.00
4	A_g	570	527	0.00
5	A_g	127	117	0.00
6	A_u	492	455	0.00
7	A_u	83	77	0.00
8	B_1g	402	372	0.00
9	B_1u	2544	2350	1.00
10	B_1u	1023	945	11.35
11	B_1u	626	579	3.16
12	B_1u	156	144	15.34
13	B_2g	734	678	0.00
14	B_2g	275	254	0.00
15	B_2u	2538	2345	18.28
16	B_2u	1231	1137	46.81
17	B_2u	472	436	0.04
18	B_2u	113	104	4.46
19	B_3g	2536	2342	0.00
20	B_3g	1386	1280	0.00
21	B_3g	547	505	0.00
22	B_3g	268	248	0.00
23	B_3u	628	580	3.08
24	B_3u	162	150	31.82

Atom	y (Å)	z (Å)
C1	0.000	0.670
C2	0.000	-0.670
C3	1.221	1.425
C4	-1.221	1.425
C5	1.221	-1.425
C6	-1.221	-1.425
N7	2.191	2.037
N8	-2.191	2.037
N9	2.191	-2.037
N10	-2.191	-2.037

	C1	C2	C3	C4	C5	C6	N7	N8	N9	N10
C1		1.3408	1.4356	1.4356	2.4253	2.4253	2.5819	2.5819	3.4825	3.4825
C2	1.3408		2.4253	2.4253	1.4356	1.4356	3.4825	3.4825	2.5819	2.5819
C3	1.4356	2.4253		2.4427	2.8498	3.7534	1.1463	3.4665	3.5949	4.8606
C4	1.4356	2.4253	2.4427		3.7534	2.8498	3.4665	1.1463	4.8606	3.5949
C5	2.4253	1.4356	2.8498	3.7534		2.4427	3.5949	4.8606	1.1463	3.4665
C6	2.4253	1.4356	3.7534	2.8498	2.4427		4.8606	3.5949	3.4665	1.1463
N7	2.5819	3.4825	1.1463	3.4665	3.5949	4.8606		4.3814	4.0736	5.9826
N8	2.5819	3.4825	3.4665	1.1463	4.8606	3.5949	4.3814		5.9826	4.0736
N9	3.4825	2.5819	3.5949	4.8606	1.1463	3.4665	4.0736	5.9826		4.3814
N10	3.4825	2.5819	4.8606	3.5949	3.4665	1.1463	5.9826	4.0736	4.3814

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	121.707	C1	C2	C6	121.707
C1	C3	N7	179.446	C1	C4	N8	179.446
C2	C1	C3	121.707	C2	C1	C4	121.707
C2	C5	N9	179.446	C2	C6	N10	179.446
C3	C1	C4	116.585	C5	C2	C6	116.585

All results from a given calculation for C₆N₄ (Tetracyanoethylene)

using model chemistry: CID/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: CID/6-31G*

States and conformations

All results from a given calculation for C₆N₄ (Tetracyanoethylene)