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	hartrees
Energy at 0K	-446.316687
Energy at 298.15K	-446.314809
HF Energy	-444.920578
Nuclear repulsion energy	370.783050

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2127	2026	0.00
2	A_g	1583	1508	0.00
3	A_g	596	568	0.00
4	A_g	521	496	0.00
5	A_g	110	105	0.00
6	A_u	445	424	0.00
7	A_u	77	73	0.00
8	B_1g	360	343	0.00
9	B_1u	2150	2048	53.70
10	B_1u	959	913	10.23
11	B_1u	574	547	0.02
12	B_1u	141	134	11.93
13	B_2g	681	648	0.00
14	B_2g	247	235	0.00
15	B_2u	2145	2044	98.63
16	B_2u	1172	1116	21.77
17	B_2u	416	396	0.14
18	B_2u	99	94	2.93
19	B_3g	2141	2039	0.00
20	B_3g	1299	1237	0.00
21	B_3g	508	484	0.00
22	B_3g	242	231	0.00
23	B_3u	568	541	1.77
24	B_3u	145	138	21.15

Atom	y (Å)	z (Å)
C1	0.000	0.686
C2	0.000	-0.686
C3	1.229	1.441
C4	-1.229	1.441
C5	1.229	-1.441
C6	-1.229	-1.441
N7	2.226	2.071
N8	-2.226	2.071
N9	2.226	-2.071
N10	-2.226	-2.071

	C1	C2	C3	C4	C5	C6	N7	N8	N9	N10
C1		1.3715	1.4422	1.4422	2.4559	2.4559	2.6214	2.6214	3.5429	3.5429
C2	1.3715		2.4559	2.4559	1.4422	1.4422	3.5429	3.5429	2.6214	2.6214
C3	1.4422	2.4559		2.4578	2.8811	3.7870	1.1793	3.5115	3.6502	4.9258
C4	1.4422	2.4559	2.4578		3.7870	2.8811	3.5115	1.1793	4.9258	3.6502
C5	2.4559	1.4422	2.8811	3.7870		2.4578	3.6502	4.9258	1.1793	3.5115
C6	2.4559	1.4422	3.7870	2.8811	2.4578		4.9258	3.6502	3.5115	1.1793
N7	2.6214	3.5429	1.1793	3.5115	3.6502	4.9258		4.4511	4.1418	6.0800
N8	2.6214	3.5429	3.5115	1.1793	4.9258	3.6502	4.4511		6.0800	4.1418
N9	3.5429	2.6214	3.6502	4.9258	1.1793	3.5115	4.1418	6.0800		4.4511
N10	3.5429	2.6214	4.9258	3.6502	3.5115	1.1793	6.0800	4.1418	4.4511

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	121.559	C1	C2	C6	121.559
C1	C3	N7	179.249	C1	C4	N8	179.249
C2	C1	C3	121.559	C2	C1	C4	121.559
C2	C5	N9	179.249	C2	C6	N10	179.249
C3	C1	C4	116.882	C5	C2	C6	116.882

All results from a given calculation for C₆N₄ (Tetracyanoethylene)

using model chemistry: MP2/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: MP2/cc-pVDZ

States and conformations

All results from a given calculation for C₆N₄ (Tetracyanoethylene)