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	hartrees
Energy at 0K	-72.845935
Energy at 298.15K	-72.843760
HF Energy	-71.493989
Nuclear repulsion energy	171.508099

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2117	2010	0.00
2	A_g	1590	1510	0.00
3	A_g	584	555	0.00
4	A_g	509	483	0.00
5	A_g	103	98	0.00
6	A_u	432	410	0.00
7	A_u	78	75	0.00
8	B_1g	348	330	0.00
9	B_1u	2141	2032	42.95
10	B_1u	939	892	14.42
11	B_1u	548	520	0.45
12	B_1u	131	125	11.86
13	B_2g	585	555	0.00
14	B_2g	232	220	0.00
15	B_2u	2138	2030	82.87
16	B_2u	1167	1108	24.81
17	B_2u	397	376	0.47
18	B_2u	93	88	2.74
19	B_3g	2133	2025	0.00
20	B_3g	1287	1222	0.00
21	B_3g	489	464	0.00
22	B_3g	227	216	0.00
23	B_3u	551	523	0.55
24	B_3u	144	137	20.15

Atom	y (Å)	z (Å)
C1	0.000	0.694
C2	0.000	-0.694
C3	1.239	1.456
C4	-1.239	1.456
C5	1.239	-1.456
C6	-1.239	-1.456
N7	2.248	2.090
N8	-2.248	2.090
N9	2.248	-2.090
N10	-2.248	-2.090

	C1	C2	C3	C4	C5	C6	N7	N8	N9	N10
C1		1.3881	1.4544	1.4544	2.4815	2.4815	2.6467	2.6467	3.5788	3.5788
C2	1.3881		2.4815	2.4815	1.4544	1.4544	3.5788	3.5788	2.6467	2.6467
C3	1.4544	2.4815		2.4774	2.9124	3.8235	1.1923	3.5443	3.6874	4.9737
C4	1.4544	2.4815	2.4774		3.8235	2.9124	3.5443	1.1923	4.9737	3.6874
C5	2.4815	1.4544	2.9124	3.8235		2.4774	3.6874	4.9737	1.1923	3.5443
C6	2.4815	1.4544	3.8235	2.9124	2.4774		4.9737	3.6874	3.5443	1.1923
N7	2.6467	3.5788	1.1923	3.5443	3.6874	4.9737		4.4968	4.1806	6.1400
N8	2.6467	3.5788	3.5443	1.1923	4.9737	3.6874	4.4968		6.1400	4.1806
N9	3.5788	2.6467	3.6874	4.9737	1.1923	3.5443	4.1806	6.1400		4.4968
N10	3.5788	2.6467	4.9737	3.6874	3.5443	1.1923	6.1400	4.1806	4.4968

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	121.603	C1	C2	C6	121.603
C1	C3	N7	179.474	C1	C4	N8	179.474
C2	C1	C3	121.603	C2	C1	C4	121.603
C2	C5	N9	179.474	C2	C6	N10	179.474
C3	C1	C4	116.794	C5	C2	C6	116.794

All results from a given calculation for C₆N₄ (Tetracyanoethylene)

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

States and conformations

All results from a given calculation for C₆N₄ (Tetracyanoethylene)