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	hartrees
Energy at 0K	-443.424998
Energy at 298.15K	-443.423801
HF Energy	-442.413893
Nuclear repulsion energy	372.175399

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2281	2193	0.00
2	A_g	1606	1544	0.00
3	A_g	621	596	0.00
4	A_g	539	518	0.00
5	A_g	132	127	0.00
6	A_u	542	521	0.00
7	A_u	84	81	0.00
8	B_1g	459	441	0.00
9	B_1u	2291	2201	11.54
10	B_1u	962	925	13.41
11	B_1u	617	593	0.17
12	B_1u	169	162	9.88
13	B_2g	838	806	0.00
14	B_2g	293	282	0.00
15	B_2u	2288	2199	46.98
16	B_2u	1116	1073	27.13
17	B_2u	487	469	0.35
18	B_2u	113	108	3.01
19	B_3g	2282	2193	0.00
20	B_3g	1273	1224	0.00
21	B_3g	550	529	0.00
22	B_3g	293	282	0.00
23	B_3u	689	662	0.04
24	B_3u	165	159	18.62

Atom	y (Å)	z (Å)
C1	0.000	0.680
C2	0.000	-0.680
C3	1.231	1.439
C4	-1.231	1.439
C5	1.231	-1.439
C6	-1.231	-1.439
N7	2.220	2.062
N8	-2.220	2.062
N9	2.220	-2.062
N10	-2.220	-2.062

	C1	C2	C3	C4	C5	C6	N7	N8	N9	N10
C1		1.3607	1.4454	1.4454	2.4503	2.4503	2.6154	2.6154	3.5289	3.5289
C2	1.3607		2.4503	2.4503	1.4454	1.4454	3.5289	3.5289	2.6154	2.6154
C3	1.4454	2.4503		2.4612	2.8771	3.7862	1.1700	3.5070	3.6381	4.9159
C4	1.4454	2.4503	2.4612		3.7862	2.8771	3.5070	1.1700	4.9159	3.6381
C5	2.4503	1.4454	2.8771	3.7862		2.4612	3.6381	4.9159	1.1700	3.5070
C6	2.4503	1.4454	3.7862	2.8771	2.4612		4.9159	3.6381	3.5070	1.1700
N7	2.6154	3.5289	1.1700	3.5070	3.6381	4.9159		4.4409	4.1247	6.0609
N8	2.6154	3.5289	3.5070	1.1700	4.9159	3.6381	4.4409		6.0609	4.1247
N9	3.5289	2.6154	3.6381	4.9159	1.1700	3.5070	4.1247	6.0609		4.4409
N10	3.5289	2.6154	4.9159	3.6381	3.5070	1.1700	6.0609	4.1247	4.4409

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	121.637	C1	C2	C6	121.637
C1	C3	N7	179.418	C1	C4	N8	179.418
C2	C1	C3	121.637	C2	C1	C4	121.637
C2	C5	N9	179.418	C2	C6	N10	179.418
C3	C1	C4	116.727	C5	C2	C6	116.727

All results from a given calculation for C₆N₄ (Tetracyanoethylene)

using model chemistry: QCISD/3-21G*

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: QCISD/3-21G*

States and conformations

All results from a given calculation for C₆N₄ (Tetracyanoethylene)