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	hartrees
Energy at 0K	-445.456719
Energy at 298.15K	-445.455275
HF Energy	-444.703168
Nuclear repulsion energy	374.706681

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2443	2291	0.00
2	A_g	1738	1629	0.00
3	A_g	641	601	0.00
4	A_g	571	535	0.00
5	A_g	129	121	0.00
6	A_u	456	428	0.00
7	A_u	80	75	0.00
8	B_1g	370	347	0.00
9	B_1u	2449	2297	0.01
10	B_1u	1019	956	19.89
11	B_1u	630	591	0.50
12	B_1u	161	151	13.52
13	B_2g	775	727	0.00
14	B_2g	258	242	0.00
15	B_2u	2447	2295	15.75
16	B_2u	1208	1133	51.28
17	B_2u	473	444	0.28
18	B_2u	114	107	3.59
19	B_3g	2442	2290	0.00
20	B_3g	1366	1281	0.00
21	B_3g	553	518	0.00
22	B_3g	272	255	0.00
23	B_3u	622	583	0.25
24	B_3u	159	150	26.97

Atom	y (Å)	z (Å)
C1	0.000	0.677
C2	0.000	-0.677
C3	1.225	1.435
C4	-1.225	1.435
C5	1.225	-1.435
C6	-1.225	-1.435
N7	2.217	2.038
N8	-2.217	2.038
N9	2.217	-2.038
N10	-2.217	-2.038

	C1	C2	C3	C4	C5	C6	N7	N8	N9	N10
C1		1.3548	1.4400	1.4400	2.4416	2.4416	2.6013	2.6013	3.5054	3.5054
C2	1.3548		2.4416	2.4416	1.4400	1.4400	3.5054	3.5054	2.6013	2.6013
C3	1.4400	2.4416		2.4495	2.8696	3.7729	1.1613	3.4944	3.6116	4.8894
C4	1.4400	2.4416	2.4495		3.7729	2.8696	3.4944	1.1613	4.8894	3.6116
C5	2.4416	1.4400	2.8696	3.7729		2.4495	3.6116	4.8894	1.1613	3.4944
C6	2.4416	1.4400	3.7729	2.8696	2.4495		4.8894	3.6116	3.4944	1.1613
N7	2.6013	3.5054	1.1613	3.4944	3.6116	4.8894		4.4345	4.0755	6.0228
N8	2.6013	3.5054	3.4944	1.1613	4.8894	3.6116	4.4345		6.0228	4.0755
N9	3.5054	2.6013	3.6116	4.8894	1.1613	3.4944	4.0755	6.0228		4.4345
N10	3.5054	2.6013	4.8894	3.6116	3.4944	1.1613	6.0228	4.0755	4.4345

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	121.734	C1	C2	C6	121.734
C1	C3	N7	179.545	C1	C4	N8	179.545
C2	C1	C3	121.734	C2	C1	C4	121.734
C2	C5	N9	179.545	C2	C6	N10	179.545
C3	C1	C4	116.532	C5	C2	C6	116.532

All results from a given calculation for C₆N₄ (Tetracyanoethylene)

using model chemistry: CISD/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: CISD/6-31G

States and conformations

All results from a given calculation for C₆N₄ (Tetracyanoethylene)