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	hartrees
Energy at 0K	-446.302420
Energy at 298.15K	-446.300675
HF Energy	-444.939601
Nuclear repulsion energy	371.950704

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2344	2243	0.00
2	A_g	1674	1601	0.00
3	A_g	604	578	0.00
4	A_g	533	510	0.00
5	A_g	117	112	0.00
6	A_u	451	432	0.00
7	A_u	78	75	0.00
8	B_1g	365	349	0.00
9	B_1u	2357	2255	16.29
10	B_1u	971	929	13.70
11	B_1u	586	561	0.59
12	B_1u	145	139	12.76
13	B_2g	702	672	0.00
14	B_2g	253	242	0.00
15	B_2u	2353	2251	44.58
16	B_2u	1177	1127	33.43
17	B_2u	432	413	0.02
18	B_2u	105	100	3.48
19	B_3g	2350	2248	0.00
20	B_3g	1316	1259	0.00
21	B_3g	514	492	0.00
22	B_3g	249	238	0.00
23	B_3u	578	553	1.30
24	B_3u	150	143	23.37

Atom	y (Å)	z (Å)
C1	0.000	0.683
C2	0.000	-0.683
C3	1.236	1.445
C4	-1.236	1.445
C5	1.236	-1.445
C6	-1.236	-1.445
N7	2.221	2.069
N8	-2.221	2.069
N9	2.221	-2.069
N10	-2.221	-2.069

	C1	C2	C3	C4	C5	C6	N7	N8	N9	N10
C1		1.3656	1.4517	1.4517	2.4603	2.4603	2.6182	2.6182	3.5366	3.5366
C2	1.3656		2.4603	2.4603	1.4517	1.4517	3.5366	3.5366	2.6182	2.6182
C3	1.4517	2.4603		2.4715	2.8892	3.8021	1.1666	3.5126	3.6495	4.9292
C4	1.4517	2.4603	2.4715		3.8021	2.8892	3.5126	1.1666	4.9292	3.6495
C5	2.4603	1.4517	2.8892	3.8021		2.4715	3.6495	4.9292	1.1666	3.5126
C6	2.4603	1.4517	3.8021	2.8892	2.4715		4.9292	3.6495	3.5126	1.1666
N7	2.6182	3.5366	1.1666	3.5126	3.6495	4.9292		4.4418	4.1389	6.0712
N8	2.6182	3.5366	3.5126	1.1666	4.9292	3.6495	4.4418		6.0712	4.1389
N9	3.5366	2.6182	3.6495	4.9292	1.1666	3.5126	4.1389	6.0712		4.4418
N10	3.5366	2.6182	4.9292	3.6495	3.5126	1.1666	6.0712	4.1389	4.4418

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	121.653	C1	C2	C6	121.653
C1	C3	N7	179.268	C1	C4	N8	179.268
C2	C1	C3	121.653	C2	C1	C4	121.653
C2	C5	N9	179.268	C2	C6	N10	179.268
C3	C1	C4	116.694	C5	C2	C6	116.694

All results from a given calculation for C₆N₄ (Tetracyanoethylene)

using model chemistry: CCD/cc-pVDZ

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: CCD/cc-pVDZ

States and conformations

All results from a given calculation for C₆N₄ (Tetracyanoethylene)