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	hartrees
Energy at 0K	-443.452710
Energy at 298.15K	-443.451515
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	1993	0.00
2	A_g	1563	1481	0.00
3	A_g	618	586	0.00
4	A_g	538	510	0.00
5	A_g	130	123	0.00
6	A_u	545	516	0.00
7	A_u	84	80	0.00
8	B_1g	462	438	0.00
9	B_1u	2118	2008	43.20
10	B_1u	960	910	13.48
11	B_1u	619	587	0.12
12	B_1u	169	161	10.07
13	B_2g	836	792	0.00
14	B_2g	293	278	0.00
15	B_2u	2118	2008	88.16
16	B_2u	1116	1058	16.59
17	B_2u	484	459	0.38
18	B_2u	111	106	2.77
19	B_3g	2110	2000	0.00
20	B_3g	1269	1203	0.00
21	B_3g	554	525	0.00
22	B_3g	295	280	0.00
23	B_3u	699	663	0.49
24	B_3u	166	157	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)