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	hartrees
Energy at 0K	-446.339865
Energy at 298.15K	-446.338006
HF Energy	-444.921421
Nuclear repulsion energy	371.110650

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2132	2026	0.00
2	A_g	1586	1508	0.00
3	A_g	597	567	0.00
4	A_g	522	496	0.00
5	A_g	110	105	0.00
6	A_u	447	425	0.00
7	A_u	77	73	0.00
8	B_1g	362	344	0.00
9	B_1u	2155	2048	53.29
10	B_1u	961	914	10.09
11	B_1u	575	547	0.02
12	B_1u	141	134	11.95
13	B_2g	687	653	0.00
14	B_2g	248	236	0.00
15	B_2u	2150	2044	98.13
16	B_2u	1175	1117	21.63
17	B_2u	417	396	0.14
18	B_2u	99	94	2.93
19	B_3g	2145	2039	0.00
20	B_3g	1302	1237	0.00
21	B_3g	509	484	0.00
22	B_3g	243	231	0.00
23	B_3u	570	542	1.79
24	B_3u	146	139	21.20

Atom	y (Å)	z (Å)
C1	0.000	0.685
C2	0.000	-0.685
C3	1.228	1.439
C4	-1.228	1.439
C5	1.228	-1.439
C6	-1.228	-1.439
N7	2.224	2.069
N8	-2.224	2.069
N9	2.224	-2.069
N10	-2.224	-2.069

	C1	C2	C3	C4	C5	C6	N7	N8	N9	N10
C1		1.3703	1.4406	1.4406	2.4535	2.4535	2.6193	2.6193	3.5399	3.5399
C2	1.3703		2.4535	2.4535	1.4406	1.4406	3.5399	3.5399	2.6193	2.6193
C3	1.4406	2.4535		2.4551	2.8783	3.7831	1.1787	3.5085	3.6469	4.9213
C4	1.4406	2.4535	2.4551		3.7831	2.8783	3.5085	1.1787	4.9213	3.6469
C5	2.4535	1.4406	2.8783	3.7831		2.4551	3.6469	4.9213	1.1787	3.5085
C6	2.4535	1.4406	3.7831	2.8783	2.4551		4.9213	3.6469	3.5085	1.1787
N7	2.6193	3.5399	1.1787	3.5085	3.6469	4.9213		4.4478	4.1379	6.0750
N8	2.6193	3.5399	3.5085	1.1787	4.9213	3.6469	4.4478		6.0750	4.1379
N9	3.5399	2.6193	3.6469	4.9213	1.1787	3.5085	4.1379	6.0750		4.4478
N10	3.5399	2.6193	4.9213	3.6469	3.5085	1.1787	6.0750	4.1379	4.4478

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	121.560	C1	C2	C6	121.560
C1	C3	N7	179.262	C1	C4	N8	179.262
C2	C1	C3	121.560	C2	C1	C4	121.560
C2	C5	N9	179.262	C2	C6	N10	179.262
C3	C1	C4	116.881	C5	C2	C6	116.881

All results from a given calculation for C₆N₄ (Tetracyanoethylene)

using model chemistry: MP2=FULL/cc-pVDZ

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/cc-pVDZ

States and conformations

All results from a given calculation for C₆N₄ (Tetracyanoethylene)