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	hartrees
Energy at 0K	-440.021526
Energy at 298.15K	-440.019082
HF Energy	-439.188724
Nuclear repulsion energy	360.538349

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2049	1822	0.00
2	A_g	1654	1470	0.00
3	A_g	582	518	0.00
4	A_g	520	462	0.00
5	A_g	110	97	0.00
6	A_u	459	408	0.00
7	A_u	80	71	0.00
8	B_1g	357	318	0.00
9	B_1u	2044	1817	82.02
10	B_1u	943	838	3.77
11	B_1u	575	511	1.06
12	B_1u	143	127	8.94
13	B_2g	706	628	0.00
14	B_2g	243	216	0.00
15	B_2u	2059	1830	220.21
16	B_2u	1130	1004	2.99
17	B_2u	421	374	0.04
18	B_2u	93	83	2.27
19	B_3g	2049	1821	0.00
20	B_3g	1288	1145	0.00
21	B_3g	511	454	0.00
22	B_3g	251	223	0.00
23	B_3u	580	515	0.65
24	B_3u	141	126	16.19

Atom	y (Å)	z (Å)
C1	0.000	0.688
C2	0.000	-0.688
C3	1.251	1.460
C4	-1.251	1.460
C5	1.251	-1.460
C6	-1.251	-1.460
N7	2.269	2.104
N8	-2.269	2.104
N9	2.269	-2.104
N10	-2.269	-2.104

	C1	C2	C3	C4	C5	C6	N7	N8	N9	N10
C1		1.3760	1.4696	1.4696	2.4854	2.4854	2.6747	2.6747	3.5979	3.5979
C2	1.3760		2.4854	2.4854	1.4696	1.4696	3.5979	3.5979	2.6747	2.6747
C3	1.4696	2.4854		2.5012	2.9196	3.8445	1.2052	3.5782	3.7066	5.0090
C4	1.4696	2.4854	2.5012		3.8445	2.9196	3.5782	1.2052	5.0090	3.7066
C5	2.4854	1.4696	2.9196	3.8445		2.5012	3.7066	5.0090	1.2052	3.5782
C6	2.4854	1.4696	3.8445	2.9196	2.5012		5.0090	3.7066	3.5782	1.2052
N7	2.6747	3.5979	1.2052	3.5782	3.7066	5.0090		4.5382	4.2082	6.1891
N8	2.6747	3.5979	3.5782	1.2052	5.0090	3.7066	4.5382		6.1891	4.2082
N9	3.5979	2.6747	3.7066	5.0090	1.2052	3.5782	4.2082	6.1891		4.5382
N10	3.5979	2.6747	5.0090	3.7066	3.5782	1.2052	6.1891	4.2082	4.5382

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	121.681	C1	C2	C6	121.681
C1	C3	N7	179.364	C1	C4	N8	179.364
C2	C1	C3	121.681	C2	C1	C4	121.681
C2	C5	N9	179.364	C2	C6	N10	179.364
C3	C1	C4	116.637	C5	C2	C6	116.637

All results from a given calculation for C₆N₄ (Tetracyanoethylene)

using model chemistry: MP2=FULL/STO-3G

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/STO-3G

States and conformations

All results from a given calculation for C₆N₄ (Tetracyanoethylene)