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	hartrees
Energy at 0K	-446.269809
Energy at 298.15K	-446.267950
HF Energy	-444.911149
Nuclear repulsion energy	374.471377

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2452	2301	0.00
2	A_g	1681	1578	0.00
3	A_g	612	574	0.00
4	A_g	542	509	0.00
5	A_g	118	110	0.00
6	A_u	440	413	0.00
7	A_u	77	73	0.00
8	B_1g	361	339	0.00
9	B_1u	2461	2310	7.31
10	B_1u	985	925	13.81
11	B_1u	588	552	1.20
12	B_1u	145	136	14.64
13	B_2g	605	568	0.00
14	B_2g	248	233	0.00
15	B_2u	2454	2303	28.65
16	B_2u	1194	1121	38.22
17	B_2u	435	409	0.00
18	B_2u	105	99	3.94
19	B_3g	2449	2299	0.00
20	B_3g	1338	1256	0.00
21	B_3g	518	486	0.00
22	B_3g	245	230	0.00
23	B_3u	566	531	2.06
24	B_3u	151	142	28.32

Atom	y (Å)	z (Å)
C1	0.000	0.679
C2	0.000	-0.679
C3	1.228	1.437
C4	-1.228	1.437
C5	1.228	-1.437
C6	-1.228	-1.437
N7	2.208	2.055
N8	-2.208	2.055
N9	2.208	-2.055
N10	-2.208	-2.055

	C1	C2	C3	C4	C5	C6	N7	N8	N9	N10
C1		1.3577	1.4429	1.4429	2.4461	2.4461	2.6018	2.6018	3.5143	3.5143
C2	1.3577		2.4461	2.4461	1.4429	1.4429	3.5143	3.5143	2.6018	2.6018
C3	1.4429	2.4461		2.4558	2.8734	3.7799	1.1589	3.4910	3.6270	4.8989
C4	1.4429	2.4461	2.4558		3.7799	2.8734	3.4910	1.1589	4.8989	3.6270
C5	2.4461	1.4429	2.8734	3.7799		2.4558	3.6270	4.8989	1.1589	3.4910
C6	2.4461	1.4429	3.7799	2.8734	2.4558		4.8989	3.6270	3.4910	1.1589
N7	2.6018	3.5143	1.1589	3.4910	3.6270	4.8989		4.4156	4.1108	6.0330
N8	2.6018	3.5143	3.4910	1.1589	4.8989	3.6270	4.4156		6.0330	4.1108
N9	3.5143	2.6018	3.6270	4.8989	1.1589	3.4910	4.1108	6.0330		4.4156
N10	3.5143	2.6018	4.8989	3.6270	3.4910	1.1589	6.0330	4.1108	4.4156

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	121.682	C1	C2	C6	121.682
C1	C3	N7	179.413	C1	C4	N8	179.413
C2	C1	C3	121.682	C2	C1	C4	121.682
C2	C5	N9	179.413	C2	C6	N10	179.413
C3	C1	C4	116.636	C5	C2	C6	116.636

All results from a given calculation for C₆N₄ (Tetracyanoethylene)

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

All results from a given calculation for C₆N₄ (Tetracyanoethylene)