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	hartrees
Energy at 0K	-446.344408
Energy at 298.15K	-446.342553
HF Energy	-444.891147
Nuclear repulsion energy	372.977236

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2162	2020	0.00
2	A_g	1597	1492	0.00
3	A_g	600	561	0.00
4	A_g	527	493	0.00
5	A_g	112	105	0.00
6	A_u	452	423	0.00
7	A_u	78	73	0.00
8	B_1g	373	349	0.00
9	B_1u	2185	2041	46.52
10	B_1u	968	904	9.15
11	B_1u	577	539	0.14
12	B_1u	144	134	14.02
13	B_2g	622	582	0.00
14	B_2g	250	234	0.00
15	B_2u	2178	2036	89.27
16	B_2u	1179	1102	22.87
17	B_2u	423	395	0.04
18	B_2u	101	94	3.30
19	B_3g	2174	2031	0.00
20	B_3g	1314	1228	0.00
21	B_3g	514	480	0.00
22	B_3g	247	231	0.00
23	B_3u	578	540	3.40
24	B_3u	150	140	25.63

Atom	y (Å)	z (Å)
C1	0.000	0.681
C2	0.000	-0.681
C3	1.221	1.431
C4	-1.221	1.431
C5	1.221	-1.431
C6	-1.221	-1.431
N7	2.215	2.058
N8	-2.215	2.058
N9	2.215	-2.058
N10	-2.215	-2.058

	C1	C2	C3	C4	C5	C6	N7	N8	N9	N10
C1		1.3615	1.4332	1.4332	2.4395	2.4395	2.6085	2.6085	3.5225	3.5225
C2	1.3615		2.4395	2.4395	1.4332	1.4332	3.5225	3.5225	2.6085	2.6085
C3	1.4332	2.4395		2.4423	2.8622	3.7626	1.1753	3.4931	3.6280	4.8972
C4	1.4332	2.4395	2.4423		3.7626	2.8622	3.4931	1.1753	4.8972	3.6280
C5	2.4395	1.4332	2.8622	3.7626		2.4423	3.6280	4.8972	1.1753	3.4931
C6	2.4395	1.4332	3.7626	2.8622	2.4423		4.8972	3.6280	3.4931	1.1753
N7	2.6085	3.5225	1.1753	3.4931	3.6280	4.8972		4.4305	4.1160	6.0474
N8	2.6085	3.5225	3.4931	1.1753	4.8972	3.6280	4.4305		6.0474	4.1160
N9	3.5225	2.6085	3.6280	4.8972	1.1753	3.4931	4.1160	6.0474		4.4305
N10	3.5225	2.6085	4.8972	3.6280	3.4931	1.1753	6.0474	4.1160	4.4305

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	121.569	C1	C2	C6	121.569
C1	C3	N7	179.333	C1	C4	N8	179.333
C2	C1	C3	121.569	C2	C1	C4	121.569
C2	C5	N9	179.333	C2	C6	N10	179.333
C3	C1	C4	116.862	C5	C2	C6	116.862

All results from a given calculation for C₆N₄ (Tetracyanoethylene)

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G**

States and conformations

All results from a given calculation for C₆N₄ (Tetracyanoethylene)