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	hartrees
Energy at 0K	-446.305630
Energy at 298.15K	-446.303759
HF Energy	-444.905105
Nuclear repulsion energy	372.982393

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2337	2200	0.00
2	A_g	1669	1571	0.00
3	A_g	602	566	0.00
4	A_g	533	502	0.00
5	A_g	116	109	0.00
6	A_u	440	414	0.00
7	A_u	77	72	0.00
8	B_1g	360	339	0.00
9	B_1u	2347	2209	8.31
10	B_1u	968	911	9.83
11	B_1u	581	547	0.90
12	B_1u	144	136	13.56
13	B_2g	623	587	0.00
14	B_2g	247	232	0.00
15	B_2u	2344	2207	39.42
16	B_2u	1171	1103	31.57
17	B_2u	429	404	0.01
18	B_2u	104	98	3.76
19	B_3g	2340	2203	0.00
20	B_3g	1316	1239	0.00
21	B_3g	512	482	0.00
22	B_3g	245	231	0.00
23	B_3u	567	534	1.79
24	B_3u	149	140	27.13

Atom	y (Å)	z (Å)
C1	0.000	0.679
C2	0.000	-0.679
C3	1.230	1.439
C4	-1.230	1.439
C5	1.230	-1.439
C6	-1.230	-1.439
N7	2.216	2.061
N8	-2.216	2.061
N9	2.216	-2.061
N10	-2.216	-2.061

	C1	C2	C3	C4	C5	C6	N7	N8	N9	N10
C1		1.3587	1.4456	1.4456	2.4493	2.4493	2.6115	2.6115	3.5244	3.5244
C2	1.3587		2.4493	2.4493	1.4456	1.4456	3.5244	3.5244	2.6115	2.6115
C3	1.4456	2.4493		2.4602	2.8774	3.7858	1.1660	3.5017	3.6363	4.9118
C4	1.4456	2.4493	2.4602		3.7858	2.8774	3.5017	1.1660	4.9118	3.6363
C5	2.4493	1.4456	2.8774	3.7858		2.4602	3.6363	4.9118	1.1660	3.5017
C6	2.4493	1.4456	3.7858	2.8774	2.4602		4.9118	3.6363	3.5017	1.1660
N7	2.6115	3.5244	1.1660	3.5017	3.6363	4.9118		4.4317	4.1228	6.0529
N8	2.6115	3.5244	3.5017	1.1660	4.9118	3.6363	4.4317		6.0529	4.1228
N9	3.5244	2.6115	3.6363	4.9118	1.1660	3.5017	4.1228	6.0529		4.4317
N10	3.5244	2.6115	4.9118	3.6363	3.5017	1.1660	6.0529	4.1228	4.4317

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	121.689	C1	C2	C6	121.689
C1	C3	N7	179.409	C1	C4	N8	179.409
C2	C1	C3	121.689	C2	C1	C4	121.689
C2	C5	N9	179.409	C2	C6	N10	179.409
C3	C1	C4	116.623	C5	C2	C6	116.623

All results from a given calculation for C₆N₄ (Tetracyanoethylene)

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

States and conformations

All results from a given calculation for C₆N₄ (Tetracyanoethylene)