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	hartrees
Energy at 0K	-446.635141
Energy at 298.15K	-446.633331
HF Energy	-444.986585
Nuclear repulsion energy	373.711796

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2146	2032	0.00
2	A_g	1579	1496	0.00
3	A_g	599	567	0.00
4	A_g	529	501	0.00
5	A_g	112	107	0.00
6	A_u	457	433	0.00
7	A_u	78	74	0.00
8	B_1g	374	354	0.00
9	B_1u	2170	2055	53.26
10	B_1u	964	913	10.01
11	B_1u	580	549	0.13
12	B_1u	145	137	13.01
13	B_2g	666	631	0.00
14	B_2g	251	238	0.00
15	B_2u	2164	2050	96.83
16	B_2u	1172	1110	22.53
17	B_2u	428	406	0.06
18	B_2u	101	95	3.13
19	B_3g	2160	2045	0.00
20	B_3g	1304	1235	0.00
21	B_3g	515	488	0.00
22	B_3g	248	235	0.00
23	B_3u	580	549	2.22
24	B_3u	148	141	22.77

Atom	y (Å)	z (Å)
C1	0.000	0.681
C2	0.000	-0.681
C3	1.220	1.431
C4	-1.220	1.431
C5	1.220	-1.431
C6	-1.220	-1.431
N7	2.209	2.054
N8	-2.209	2.054
N9	2.209	-2.054
N10	-2.209	-2.054

	C1	C2	C3	C4	C5	C6	N7	N8	N9	N10
C1		1.3624	1.4320	1.4320	2.4390	2.4390	2.6008	2.6008	3.5157	3.5157
C2	1.3624		2.4390	2.4390	1.4320	1.4320	3.5157	3.5157	2.6008	2.6008
C3	1.4320	2.4390		2.4406	2.8611	3.7607	1.1688	3.4856	3.6219	4.8889
C4	1.4320	2.4390	2.4406		3.7607	2.8611	3.4856	1.1688	4.8889	3.6219
C5	2.4390	1.4320	2.8611	3.7607		2.4406	3.6219	4.8889	1.1688	3.4856
C6	2.4390	1.4320	3.7607	2.8611	2.4406		4.8889	3.6219	3.4856	1.1688
N7	2.6008	3.5157	1.1688	3.4856	3.6219	4.8889		4.4182	4.1076	6.0326
N8	2.6008	3.5157	3.4856	1.1688	4.8889	3.6219	4.4182		6.0326	4.1076
N9	3.5157	2.6008	3.6219	4.8889	1.1688	3.4856	4.1076	6.0326		4.4182
N10	3.5157	2.6008	4.8889	3.6219	3.4856	1.1688	6.0326	4.1076	4.4182

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	121.552	C1	C2	C6	121.552
C1	C3	N7	179.330	C1	C4	N8	179.330
C2	C1	C3	121.552	C2	C1	C4	121.552
C2	C5	N9	179.330	C2	C6	N10	179.330
C3	C1	C4	116.895	C5	C2	C6	116.895

All results from a given calculation for C₆N₄ (Tetracyanoethylene)

using model chemistry: MP2=FULL/6-311G*

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/6-311G*

States and conformations

All results from a given calculation for C₆N₄ (Tetracyanoethylene)