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	hartrees
Energy at 0K	-443.452710
Energy at 298.15K	-443.451534
HF Energy	-442.399442
Nuclear repulsion energy	371.274319

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2103	2008	0.00
2	A_g	1563	1492	0.00
3	A_g	618	590	0.00
4	A_g	538	514	0.00
5	A_g	130	124	0.00
6	A_u	545	520	0.00
7	A_u	84	81	0.00
8	B_1g	462	441	0.00
9	B_1u	2118	2022	43.20
10	B_1u	960	916	13.48
11	B_1u	619	591	0.12
12	B_1u	169	162	10.07
13	B_2g	836	798	0.00
14	B_2g	293	280	0.00
15	B_2u	2118	2022	88.16
16	B_2u	1116	1066	16.59
17	B_2u	484	462	0.38
18	B_2u	111	106	2.77
19	B_3g	2110	2014	0.00
20	B_3g	1269	1211	0.00
21	B_3g	554	529	0.00
22	B_3g	295	282	0.00
23	B_3u	699	667	0.49
24	B_3u	166	158	17.31

Atom	y (Å)	z (Å)
C1	0.000	0.681
C2	0.000	-0.681
C3	1.226	1.433
C4	-1.226	1.433
C5	1.226	-1.433
C6	-1.226	-1.433
N7	2.224	2.062
N8	-2.224	2.062
N9	2.224	-2.062
N10	-2.224	-2.062

	C1	C2	C3	C4	C5	C6	N7	N8	N9	N10
C1		1.3611	1.4383	1.4383	2.4432	2.4432	2.6179	2.6179	3.5308	3.5308
C2	1.3611		2.4432	2.4432	1.4383	1.4383	3.5308	3.5308	2.6179	2.6179
C3	1.4383	2.4432		2.4517	2.8657	3.7713	1.1797	3.5065	3.6345	4.9106
C4	1.4383	2.4432	2.4517		3.7713	2.8657	3.5065	1.1797	4.9106	3.6345
C5	2.4432	1.4383	2.8657	3.7713		2.4517	3.6345	4.9106	1.1797	3.5065
C6	2.4432	1.4383	3.7713	2.8657	2.4517		4.9106	3.6345	3.5065	1.1797
N7	2.6179	3.5308	1.1797	3.5065	3.6345	4.9106		4.4475	4.1240	6.0653
N8	2.6179	3.5308	3.5065	1.1797	4.9106	3.6345	4.4475		6.0653	4.1240
N9	3.5308	2.6179	3.6345	4.9106	1.1797	3.5065	4.1240	6.0653		4.4475
N10	3.5308	2.6179	4.9106	3.6345	3.5065	1.1797	6.0653	4.1240	4.4475

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	121.538	C1	C2	C6	121.538
C1	C3	N7	179.308	C1	C4	N8	179.308
C2	C1	C3	121.538	C2	C1	C4	121.538
C2	C5	N9	179.308	C2	C6	N10	179.308
C3	C1	C4	116.924	C5	C2	C6	116.924

All results from a given calculation for C₆N₄ (Tetracyanoethylene)

using model chemistry: MP2=FULL/3-21G

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/3-21G

States and conformations

All results from a given calculation for C₆N₄ (Tetracyanoethylene)