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	hartrees
Energy at 0K	-72.956443
Energy at 298.15K	-72.954291
HF Energy	-71.536584
Nuclear repulsion energy	173.114588

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2082	1983	0.00
2	A_g	1558	1484	0.00
3	A_g	582	555	0.00
4	A_g	510	486	0.00
5	A_g	104	100	0.00
6	A_u	420	400	0.00
7	A_u	76	72	0.00
8	B_1g	340	324	0.00
9	B_1u	2107	2007	51.30
10	B_1u	939	894	13.12
11	B_1u	554	528	0.15
12	B_1u	135	128	11.83
13	B_2g	576	548	0.00
14	B_2g	233	222	0.00
15	B_2u	2101	2001	100.61
16	B_2u	1148	1093	25.17
17	B_2u	401	382	0.34
18	B_2u	94	90	2.91
19	B_3g	2097	1998	0.00
20	B_3g	1276	1216	0.00
21	B_3g	496	472	0.00
22	B_3g	229	218	0.00
23	B_3u	544	518	0.34
24	B_3u	145	139	22.06

Atom	y (Å)	z (Å)
C1	0.000	0.685
C2	0.000	-0.685
C3	1.231	1.442
C4	-1.231	1.442
C5	1.231	-1.442
C6	-1.231	-1.442
N7	2.228	2.070
N8	-2.228	2.070
N9	2.228	-2.070
N10	-2.228	-2.070

	C1	C2	C3	C4	C5	C6	N7	N8	N9	N10
C1		1.3704	1.4450	1.4450	2.4578	2.4578	2.6230	2.6230	3.5431	3.5431
C2	1.3704		2.4578	2.4578	1.4450	1.4450	3.5431	3.5431	2.6230	2.6230
C3	1.4450	2.4578		2.4614	2.8846	3.7920	1.1781	3.5149	3.6510	4.9292
C4	1.4450	2.4578	2.4614		3.7920	2.8846	3.5149	1.1781	4.9292	3.6510
C5	2.4578	1.4450	2.8846	3.7920		2.4614	3.6510	4.9292	1.1781	3.5149
C6	2.4578	1.4450	3.7920	2.8846	2.4614		4.9292	3.6510	3.5149	1.1781
N7	2.6230	3.5431	1.1781	3.5149	3.6510	4.9292		4.4554	4.1400	6.0819
N8	2.6230	3.5431	3.5149	1.1781	4.9292	3.6510	4.4554		6.0819	4.1400
N9	3.5431	2.6230	3.6510	4.9292	1.1781	3.5149	4.1400	6.0819		4.4554
N10	3.5431	2.6230	4.9292	3.6510	3.5149	1.1781	6.0819	4.1400	4.4554

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	121.599	C1	C2	C6	121.599
C1	C3	N7	179.405	C1	C4	N8	179.405
C2	C1	C3	121.599	C2	C1	C4	121.599
C2	C5	N9	179.405	C2	C6	N10	179.405
C3	C1	C4	116.802	C5	C2	C6	116.802

All results from a given calculation for C₆N₄ (Tetracyanoethylene)

using model chemistry: MP2/CEP-121G*

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/CEP-121G*

States and conformations

All results from a given calculation for C₆N₄ (Tetracyanoethylene)