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	hartrees
Energy at 0K	-446.534727
Energy at 298.15K	-446.532945
HF Energy	-444.930234
Nuclear repulsion energy	374.534146

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2156	2037	0.00
2	A_g	1579	1491	0.00
3	A_g	598	564	0.00
4	A_g	528	498	0.00
5	A_g	111	105	0.00
6	A_u	461	435	0.00
7	A_u	79	75	0.00
8	B_1g	374	353	0.00
9	B_1u	2181	2060	44.06
10	B_1u	962	908	7.24
11	B_1u	580	548	0.57
12	B_1u	142	135	15.41
13	B_2g	716	676	0.00
14	B_2g	258	244	0.00
15	B_2u	2173	2052	88.88
16	B_2u	1174	1109	21.15
17	B_2u	424	400	0.01
18	B_2u	99	93	3.47
19	B_3g	2168	2048	0.00
20	B_3g	1298	1226	0.00
21	B_3g	514	486	0.00
22	B_3g	244	231	0.00
23	B_3u	584	552	3.29
24	B_3u	150	141	27.46

Atom	y (Å)	z (Å)
C1	0.000	0.678
C2	0.000	-0.678
C3	1.218	1.425
C4	-1.218	1.425
C5	1.218	-1.425
C6	-1.218	-1.425
N7	2.209	2.045
N8	-2.209	2.045
N9	2.209	-2.045
N10	-2.209	-2.045

	C1	C2	C3	C4	C5	C6	N7	N8	N9	N10
C1		1.3569	1.4285	1.4285	2.4304	2.4304	2.5976	2.5976	3.5067	3.5067
C2	1.3569		2.4304	2.4304	1.4285	1.4285	3.5067	3.5067	2.5976	2.5976
C3	1.4285	2.4304		2.4363	2.8493	3.7489	1.1691	3.4830	3.6083	4.8769
C4	1.4285	2.4304	2.4363		3.7489	2.8493	3.4830	1.1691	4.8769	3.6083
C5	2.4304	1.4285	2.8493	3.7489		2.4363	3.6083	4.8769	1.1691	3.4830
C6	2.4304	1.4285	3.7489	2.8493	2.4363		4.8769	3.6083	3.4830	1.1691
N7	2.5976	3.5067	1.1691	3.4830	3.6083	4.8769		4.4183	4.0898	6.0206
N8	2.5976	3.5067	3.4830	1.1691	4.8769	3.6083	4.4183		6.0206	4.0898
N9	3.5067	2.5976	3.6083	4.8769	1.1691	3.4830	4.0898	6.0206		4.4183
N10	3.5067	2.5976	4.8769	3.6083	3.4830	1.1691	6.0206	4.0898	4.4183

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	121.490	C1	C2	C6	121.490
C1	C3	N7	179.447	C1	C4	N8	179.447
C2	C1	C3	121.490	C2	C1	C4	121.490
C2	C5	N9	179.447	C2	C6	N10	179.447
C3	C1	C4	117.021	C5	C2	C6	117.021

All results from a given calculation for C₆N₄ (Tetracyanoethylene)

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

All results from a given calculation for C₆N₄ (Tetracyanoethylene)