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	hartrees
Energy at 0K	-446.299775
Energy at 298.15K	-446.297799
HF Energy	-444.889812
Nuclear repulsion energy	372.499622

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2154	2017	0.00
2	A_g	1593	1492	0.00
3	A_g	598	560	0.00
4	A_g	525	492	0.00
5	A_g	111	104	0.00
6	A_u	434	407	0.00
7	A_u	76	72	0.00
8	B_1g	359	336	0.00
9	B_1u	2176	2038	47.01
10	B_1u	964	903	9.28
11	B_1u	572	536	0.11
12	B_1u	142	133	14.05
13	B_2g	572	535	0.00
14	B_2g	242	226	0.00
15	B_2u	2170	2032	90.55
16	B_2u	1176	1101	22.93
17	B_2u	419	392	0.05
18	B_2u	100	93	3.27
19	B_3g	2166	2028	0.00
20	B_3g	1310	1227	0.00
21	B_3g	510	478	0.00
22	B_3g	243	227	0.00
23	B_3u	558	523	3.20
24	B_3u	147	137	25.67

Atom	y (Å)	z (Å)
C1	0.000	0.682
C2	0.000	-0.682
C3	1.223	1.433
C4	-1.223	1.433
C5	1.223	-1.433
C6	-1.223	-1.433
N7	2.218	2.061
N8	-2.218	2.061
N9	2.218	-2.061
N10	-2.218	-2.061

	C1	C2	C3	C4	C5	C6	N7	N8	N9	N10
C1		1.3634	1.4353	1.4353	2.4431	2.4431	2.6115	2.6115	3.5268	3.5268
C2	1.3634		2.4431	2.4431	1.4353	1.4353	3.5268	3.5268	2.6115	2.6115
C3	1.4353	2.4431		2.4454	2.8669	3.7681	1.1762	3.4971	3.6329	4.9035
C4	1.4353	2.4431	2.4454		3.7681	2.8669	3.4971	1.1762	4.9035	3.6329
C5	2.4431	1.4353	2.8669	3.7681		2.4454	3.6329	4.9035	1.1762	3.4971
C6	2.4431	1.4353	3.7681	2.8669	2.4454		4.9035	3.6329	3.4971	1.1762
N7	2.6115	3.5268	1.1762	3.4971	3.6329	4.9035		4.4355	4.1212	6.0545
N8	2.6115	3.5268	3.4971	1.1762	4.9035	3.6329	4.4355		6.0545	4.1212
N9	3.5268	2.6115	3.6329	4.9035	1.1762	3.4971	4.1212	6.0545		4.4355
N10	3.5268	2.6115	4.9035	3.6329	3.4971	1.1762	6.0545	4.1212	4.4355

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	121.584	C1	C2	C6	121.584
C1	C3	N7	179.362	C1	C4	N8	179.362
C2	C1	C3	121.584	C2	C1	C4	121.584
C2	C5	N9	179.362	C2	C6	N10	179.362
C3	C1	C4	116.832	C5	C2	C6	116.832

All results from a given calculation for C₆N₄ (Tetracyanoethylene)

using model chemistry: MP2/6-31G**

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: MP2/6-31G**

States and conformations

All results from a given calculation for C₆N₄ (Tetracyanoethylene)