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	hartrees
Energy at 0K	-446.283959
Energy at 298.15K	-446.282124
HF Energy	-444.907533
Nuclear repulsion energy	373.664664

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2367	2220	0.00
2	A_g	1681	1576	0.00
3	A_g	606	568	0.00
4	A_g	537	504	0.00
5	A_g	117	109	0.00
6	A_u	442	415	0.00
7	A_u	78	73	0.00
8	B_1g	363	340	0.00
9	B_1u	2380	2231	14.14
10	B_1u	976	916	12.84
11	B_1u	585	548	0.76
12	B_1u	145	136	14.74
13	B_2g	622	583	0.00
14	B_2g	249	233	0.00
15	B_2u	2375	2227	41.83
16	B_2u	1183	1109	33.97
17	B_2u	433	406	0.00
18	B_2u	105	98	3.80
19	B_3g	2372	2224	0.00
20	B_3g	1328	1245	0.00
21	B_3g	516	483	0.00
22	B_3g	247	232	0.00
23	B_3u	569	533	2.10
24	B_3u	150	141	27.60

Atom	y (Å)	z (Å)
C1	0.000	0.679
C2	0.000	-0.679
C3	1.229	1.437
C4	-1.229	1.437
C5	1.229	-1.437
C6	-1.229	-1.437
N7	2.213	2.057
N8	-2.213	2.057
N9	2.213	-2.057
N10	-2.213	-2.057

	C1	C2	C3	C4	C5	C6	N7	N8	N9	N10
C1		1.3572	1.4440	1.4440	2.4465	2.4465	2.6074	2.6074	3.5190	3.5190
C2	1.3572		2.4465	2.4465	1.4440	1.4440	3.5190	3.5190	2.6074	2.6074
C3	1.4440	2.4465		2.4577	2.8739	3.7815	1.1634	3.4972	3.6304	4.9048
C4	1.4440	2.4465	2.4577		3.7815	2.8739	3.4972	1.1634	4.9048	3.6304
C5	2.4465	1.4440	2.8739	3.7815		2.4577	3.6304	4.9048	1.1634	3.4972
C6	2.4465	1.4440	3.7815	2.8739	2.4577		4.9048	3.6304	3.4972	1.1634
N7	2.6074	3.5190	1.1634	3.4972	3.6304	4.9048		4.4258	4.1150	6.0433
N8	2.6074	3.5190	3.4972	1.1634	4.9048	3.6304	4.4258		6.0433	4.1150
N9	3.5190	2.6074	3.6304	4.9048	1.1634	3.4972	4.1150	6.0433		4.4258
N10	3.5190	2.6074	4.9048	3.6304	3.4972	1.1634	6.0433	4.1150	4.4258

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	121.680	C1	C2	C6	121.680
C1	C3	N7	179.445	C1	C4	N8	179.445
C2	C1	C3	121.680	C2	C1	C4	121.680
C2	C5	N9	179.445	C2	C6	N10	179.445
C3	C1	C4	116.640	C5	C2	C6	116.640

All results from a given calculation for C₆N₄ (Tetracyanoethylene)

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

States and conformations

All results from a given calculation for C₆N₄ (Tetracyanoethylene)