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	hartrees
Energy at 0K	-446.390033
Energy at 298.15K	-446.388063
HF Energy	-444.930351
Nuclear repulsion energy	370.258899

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	2244	2139
2	A_g	1597	1522
3	A_g	589	561
4	A_g	516	492
5	A_g	108	103
6	A_u	432	412
7	A_u	75	71
8	B_1g	349	333
9	B_1u	2259	2153
10	B_1u	949	904
11	B_1u	568	541
12	B_1u	136	130
13	B_2g	665	634
14	B_2g	242	231
15	B_2u	2254	2148
16	B_2u	1154	1100
17	B_2u	411	392
18	B_2u	99	95
19	B_3g	2249	2144
20	B_3g	1285	1225
21	B_3g	501	477
22	B_3g	237	226
23	B_3u	554	528
24	B_3u	144	137

Atom	y (Å)	z (Å)
C1	0.000	0.689
C2	0.000	-0.689
C3	1.240	1.440
C4	-1.240	1.440
C5	1.240	-1.440
C6	-1.240	-1.440
N7	2.243	2.062
N8	-2.243	2.062
N9	2.243	-2.062
N10	-2.243	-2.062

	C1	C2	C3	C4	C5	C6	N7	N8	N9	N10
C1		1.3787	1.4496	1.4496	2.4643	2.4643	2.6299	2.6299	3.5498	3.5498
C2	1.3787		2.4643	2.4643	1.4496	1.4496	3.5498	3.5498	2.6299	2.6299
C3	1.4496	2.4643		2.4796	2.8808	3.8010	1.1803	3.5382	3.6430	4.9394
C4	1.4496	2.4643	2.4796		3.8010	2.8808	3.5382	1.1803	4.9394	3.6430
C5	2.4643	1.4496	2.8808	3.8010		2.4796	3.6430	4.9394	1.1803	3.5382
C6	2.4643	1.4496	3.8010	2.8808	2.4796		4.9394	3.6430	3.5382	1.1803
N7	2.6299	3.5498	1.1803	3.5382	3.6430	4.9394		4.4868	4.1233	6.0937
N8	2.6299	3.5498	3.5382	1.1803	4.9394	3.6430	4.4868		6.0937	4.1233
N9	3.5498	2.6299	3.6430	4.9394	1.1803	3.5382	4.1233	6.0937		4.4868
N10	3.5498	2.6299	4.9394	3.6430	3.5382	1.1803	6.0937	4.1233	4.4868

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	121.206	C1	C2	C6	121.206
C1	C3	N7	179.448	C1	C4	N8	179.448
C2	C1	C3	121.206	C2	C1	C4	121.206
C2	C5	N9	179.448	C2	C6	N10	179.448
C3	C1	C4	117.588	C5	C2	C6	117.588

All results from a given calculation for C₆N₄ (Tetracyanoethylene)

using model chemistry: QCISD(T)/cc-pVDZ

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(T)/cc-pVDZ

States and conformations

All results from a given calculation for C₆N₄ (Tetracyanoethylene)