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	hartrees
Energy at 0K	-445.742407
Energy at 298.15K	-445.740284
HF Energy	-444.669638
Nuclear repulsion energy	368.339253

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2057	1954	0.00
2	A_g	1568	1490	0.00
3	A_g	589	559	0.00
4	A_g	528	502	0.00
5	A_g	114	108	0.00
6	A_u	376	357	0.00
7	A_u	72	69	0.00
8	B_1g	307	291	0.00
9	B_1u	2072	1969	40.49
10	B_1u	946	899	15.47
11	B_1u	581	552	0.76
12	B_1u	145	138	13.04
13	B_2g	607	577	0.00
14	B_2g	217	207	0.00
15	B_2u	2076	1972	82.51
16	B_2u	1127	1071	17.36
17	B_2u	420	399	0.61
18	B_2u	102	97	2.77
19	B_3g	2068	1965	0.00
20	B_3g	1273	1210	0.00
21	B_3g	513	487	0.00
22	B_3g	243	231	0.00
23	B_3u	549	521	0.01
24	B_3u	139	132	23.05

Atom	y (Å)	z (Å)
C1	0.000	0.687
C2	0.000	-0.687
C3	1.231	1.445
C4	-1.231	1.445
C5	1.231	-1.445
C6	-1.231	-1.445
N7	2.241	2.072
N8	-2.241	2.072
N9	2.241	-2.072
N10	-2.241	-2.072

	C1	C2	C3	C4	C5	C6	N7	N8	N9	N10
C1		1.3733	1.4464	1.4464	2.4621	2.4621	2.6348	2.6348	3.5544	3.5544
C2	1.3733		2.4621	2.4621	1.4464	1.4464	3.5544	3.5544	2.6348	2.6348
C3	1.4464	2.4621		2.4629	2.8907	3.7976	1.1885	3.5287	3.6595	4.9428
C4	1.4464	2.4621	2.4629		3.7976	2.8907	3.5287	1.1885	4.9428	3.6595
C5	2.4621	1.4464	2.8907	3.7976		2.4629	3.6595	4.9428	1.1885	3.5287
C6	2.4621	1.4464	3.7976	2.8907	2.4629		4.9428	3.6595	3.5287	1.1885
N7	2.6348	3.5544	1.1885	3.5287	3.6595	4.9428		4.4823	4.1442	6.1046
N8	2.6348	3.5544	3.5287	1.1885	4.9428	3.6595	4.4823		6.1046	4.1442
N9	3.5544	2.6348	3.6595	4.9428	1.1885	3.5287	4.1442	6.1046		4.4823
N10	3.5544	2.6348	4.9428	3.6595	3.5287	1.1885	6.1046	4.1442	4.4823

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	121.637	C1	C2	C6	121.637
C1	C3	N7	179.807	C1	C4	N8	179.807
C2	C1	C3	121.637	C2	C1	C4	121.637
C2	C5	N9	179.807	C2	C6	N10	179.807
C3	C1	C4	116.725	C5	C2	C6	116.725

All results from a given calculation for C₆N₄ (Tetracyanoethylene)

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G

States and conformations

All results from a given calculation for C₆N₄ (Tetracyanoethylene)