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	hartrees
Energy at 0K	-445.452685
Energy at 298.15K	-445.451239
HF Energy	-444.703352
Nuclear repulsion energy	374.790297

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2447	2288	0.00
2	A_g	1739	1627	0.00
3	A_g	641	600	0.00
4	A_g	571	534	0.00
5	A_g	129	121	0.00
6	A_u	456	426	0.00
7	A_u	80	75	0.00
8	B_1g	369	345	0.00
9	B_1u	2454	2295	0.02
10	B_1u	1020	954	20.04
11	B_1u	631	590	0.48
12	B_1u	161	151	13.70
13	B_2g	772	722	0.00
14	B_2g	257	241	0.00
15	B_2u	2452	2293	15.44
16	B_2u	1209	1131	50.82
17	B_2u	473	443	0.27
18	B_2u	114	107	3.60
19	B_3g	2447	2288	0.00
20	B_3g	1368	1279	0.00
21	B_3g	553	517	0.00
22	B_3g	272	254	0.00
23	B_3u	621	581	0.21
24	B_3u	159	149	27.15

Atom	y (Å)	z (Å)
C1	0.000	0.677
C2	0.000	-0.677
C3	1.225	1.435
C4	-1.225	1.435
C5	1.225	-1.435
C6	-1.225	-1.435
N7	2.217	2.037
N8	-2.217	2.037
N9	2.217	-2.037
N10	-2.217	-2.037

	C1	C2	C3	C4	C5	C6	N7	N8	N9	N10
C1		1.3546	1.4399	1.4399	2.4413	2.4413	2.6007	2.6007	3.5046	3.5046
C2	1.3546		2.4413	2.4413	1.4399	1.4399	3.5046	3.5046	2.6007	2.6007
C3	1.4399	2.4413		2.4493	2.8692	3.7724	1.1609	3.4939	3.6107	4.8884
C4	1.4399	2.4413	2.4493		3.7724	2.8692	3.4939	1.1609	4.8884	3.6107
C5	2.4413	1.4399	2.8692	3.7724		2.4493	3.6107	4.8884	1.1609	3.4939
C6	2.4413	1.4399	3.7724	2.8692	2.4493		4.8884	3.6107	3.4939	1.1609
N7	2.6007	3.5046	1.1609	3.4939	3.6107	4.8884		4.4339	4.0741	6.0214
N8	2.6007	3.5046	3.4939	1.1609	4.8884	3.6107	4.4339		6.0214	4.0741
N9	3.5046	2.6007	3.6107	4.8884	1.1609	3.4939	4.0741	6.0214		4.4339
N10	3.5046	2.6007	4.8884	3.6107	3.4939	1.1609	6.0214	4.0741	4.4339

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	121.733	C1	C2	C6	121.733
C1	C3	N7	179.531	C1	C4	N8	179.531
C2	C1	C3	121.733	C2	C1	C4	121.733
C2	C5	N9	179.531	C2	C6	N10	179.531
C3	C1	C4	116.535	C5	C2	C6	116.535

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)