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	hartrees
Energy at 0K	-445.942945
Energy at 298.15K	-445.941534
HF Energy	-444.916684
Nuclear repulsion energy	377.254017

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2530	2342	0.00
2	A_g	1777	1645	0.00
3	A_g	641	593	0.00
4	A_g	570	527	0.00
5	A_g	127	117	0.00
6	A_u	492	456	0.00
7	A_u	83	77	0.00
8	B_1g	402	373	0.00
9	B_1u	2539	2351	0.98
10	B_1u	1022	946	11.30
11	B_1u	626	580	3.13
12	B_1u	156	144	15.26
13	B_2g	736	681	0.00
14	B_2g	275	255	0.00
15	B_2u	2534	2346	18.42
16	B_2u	1229	1138	46.69
17	B_2u	472	437	0.04
18	B_2u	113	105	4.46
19	B_3g	2532	2344	0.00
20	B_3g	1385	1282	0.00
21	B_3g	546	506	0.00
22	B_3g	268	248	0.00
23	B_3u	628	582	3.02
24	B_3u	162	150	31.74

Atom	y (Å)	z (Å)
C1	0.000	0.671
C2	0.000	-0.671
C3	1.222	1.425
C4	-1.222	1.425
C5	1.222	-1.425
C6	-1.222	-1.425
N7	2.191	2.038
N8	-2.191	2.038
N9	2.191	-2.038
N10	-2.191	-2.038

	C1	C2	C3	C4	C5	C6	N7	N8	N9	N10
C1		1.3410	1.4359	1.4359	2.4258	2.4258	2.5826	2.5826	3.4835	3.4835
C2	1.3410		2.4258	2.4258	1.4359	1.4359	3.4835	3.4835	2.5826	2.5826
C3	1.4359	2.4258		2.4431	2.8505	3.7542	1.1467	3.4672	3.5960	4.8618
C4	1.4359	2.4258	2.4431		3.7542	2.8505	3.4672	1.1467	4.8618	3.5960
C5	2.4258	1.4359	2.8505	3.7542		2.4431	3.5960	4.8618	1.1467	3.4672
C6	2.4258	1.4359	3.7542	2.8505	2.4431		4.8618	3.5960	3.4672	1.1467
N7	2.5826	3.4835	1.1467	3.4672	3.5960	4.8618		4.3823	4.0751	5.9842
N8	2.5826	3.4835	3.4672	1.1467	4.8618	3.5960	4.3823		5.9842	4.0751
N9	3.4835	2.5826	3.5960	4.8618	1.1467	3.4672	4.0751	5.9842		4.3823
N10	3.4835	2.5826	4.8618	3.5960	3.4672	1.1467	5.9842	4.0751	4.3823

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	121.709	C1	C2	C6	121.709
C1	C3	N7	179.435	C1	C4	N8	179.435
C2	C1	C3	121.709	C2	C1	C4	121.709
C2	C5	N9	179.435	C2	C6	N10	179.435
C3	C1	C4	116.583	C5	C2	C6	116.583

All results from a given calculation for C₆N₄ (Tetracyanoethylene)

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

States and conformations

All results from a given calculation for C₆N₄ (Tetracyanoethylene)