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	hartrees
Energy at 0K	-446.873579
Energy at 298.15K	-446.863523
HF Energy	-444.919359
Nuclear repulsion energy	378.036342

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2629	2629	0.00
2	A_g	1822	1822	0.00
3	A_g	660	660	0.00
4	A_g	580	580	0.00
5	A_g	134	134	0.00
6	A_u	521	521	0.00
7	A_u	86	86	0.00
8	B_1g	425	425	0.00
9	B_1u	2641	2641	1.28
10	B_1u	1037	1037	12.24
11	B_1u	649	649	5.89
12	B_1u	163	163	16.13
13	B_2g	812	812	0.00
14	B_2g	294	294	0.00
15	B_2u	2636	2636	4.75
16	B_2u	1234	1234	57.80
17	B_2u	495	495	0.24
18	B_2u	119	119	5.24
19	B_3g	2634	2634	0.00
20	B_3g	1400	1400	0.00
21	B_3g	562	562	0.00
22	B_3g	282	282	0.00
23	B_3u	660	660	3.28
24	B_3u	169	169	35.41

Atom	y (Å)	z (Å)
C1	0.000	0.669
C2	0.000	-0.669
C3	1.225	1.429
C4	-1.225	1.429
C5	1.225	-1.429
C6	-1.225	-1.429
N7	2.178	2.042
N8	-2.178	2.042
N9	2.178	-2.042
N10	-2.178	-2.042

	C1	C2	C3	C4	C5	C6	N7	N8	N9	N10
C1		1.3378	1.4418	1.4418	2.4293	2.4293	2.5748	2.5748	3.4776	3.4776
C2	1.3378		2.4293	2.4293	1.4418	1.4418	3.4776	3.4776	2.5748	2.5748
C3	1.4418	2.4293		2.4506	2.8575	3.7644	1.1331	3.4582	3.5993	4.8611
C4	1.4418	2.4293	2.4506		3.7644	2.8575	3.4582	1.1331	4.8611	3.5993
C5	2.4293	1.4418	2.8575	3.7644		2.4506	3.5993	4.8611	1.1331	3.4582
C6	2.4293	1.4418	3.7644	2.8575	2.4506		4.8611	3.5993	3.4582	1.1331
N7	2.5748	3.4776	1.1331	3.4582	3.5993	4.8611		4.3560	4.0844	5.9713
N8	2.5748	3.4776	3.4582	1.1331	4.8611	3.5993	4.3560		5.9713	4.0844
N9	3.4776	2.5748	3.5993	4.8611	1.1331	3.4582	4.0844	5.9713		4.3560
N10	3.4776	2.5748	4.8611	3.5993	3.4582	1.1331	5.9713	4.0844	4.3560

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	121.805	C1	C2	C6	121.805
C1	C3	N7	179.027	C1	C4	N8	179.027
C2	C1	C3	121.805	C2	C1	C4	121.805
C2	C5	N9	179.027	C2	C6	N10	179.027
C3	C1	C4	116.391	C5	C2	C6	116.391

All results from a given calculation for C₆N₄ (Tetracyanoethylene)

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

All results from a given calculation for C₆N₄ (Tetracyanoethylene)