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	hartrees
Energy at 0K	-443.483777
Energy at 298.15K	-443.482494
HF Energy	-442.400137
Nuclear repulsion energy	370.577311

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	2088	2025
2	A_g	1529	1483
3	A_g	609	590
4	A_g	530	514
5	A_g	125	121
6	A_u	534	518
7	A_u	82	80
8	B_1g	454	441
9	B_1u	2116	2052
10	B_1u	945	917
11	B_1u	610	592
12	B_1u	165	160
13	B_2g	815	790
14	B_2g	288	279
15	B_2u	2115	2051
16	B_2u	1099	1065
17	B_2u	477	463
18	B_2u	108	104
19	B_3g	2110	2046
20	B_3g	1251	1213
21	B_3g	547	530
22	B_3g	292	283
23	B_3u	678	657
24	B_3u	161	157

Atom	y (Å)	z (Å)
C1	0.000	0.688
C2	0.000	-0.688
C3	1.233	1.431
C4	-1.233	1.431
C5	1.233	-1.431
C6	-1.233	-1.431
N7	2.248	2.054
N8	-2.248	2.054
N9	2.248	-2.054
N10	-2.248	-2.054

	C1	C2	C3	C4	C5	C6	N7	N8	N9	N10
C1		1.3760	1.4397	1.4397	2.4515	2.4515	2.6306	2.6306	3.5459	3.5459
C2	1.3760		2.4515	2.4515	1.4397	1.4397	3.5459	3.5459	2.6306	2.6306
C3	1.4397	2.4515		2.4668	2.8613	3.7779	1.1909	3.5367	3.6297	4.9259
C4	1.4397	2.4515	2.4668		3.7779	2.8613	3.5367	1.1909	4.9259	3.6297
C5	2.4515	1.4397	2.8613	3.7779		2.4668	3.6297	4.9259	1.1909	3.5367
C6	2.4515	1.4397	3.7779	2.8613	2.4668		4.9259	3.6297	3.5367	1.1909
N7	2.6306	3.5459	1.1909	3.5367	3.6297	4.9259		4.4958	4.1087	6.0905
N8	2.6306	3.5459	3.5367	1.1909	4.9259	3.6297	4.4958		6.0905	4.1087
N9	3.5459	2.6306	3.6297	4.9259	1.1909	3.5367	4.1087	6.0905		4.4958
N10	3.5459	2.6306	4.9259	3.6297	3.5367	1.1909	6.0905	4.1087	4.4958

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	121.053	C1	C2	C6	121.053
C1	C3	N7	179.471	C1	C4	N8	179.471
C2	C1	C3	121.053	C2	C1	C4	121.053
C2	C5	N9	179.471	C2	C6	N10	179.471
C3	C1	C4	117.893	C5	C2	C6	117.893

All results from a given calculation for C₆N₄ (Tetracyanoethylene)

using model chemistry: MP4/3-21G

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: MP4/3-21G

States and conformations

All results from a given calculation for C₆N₄ (Tetracyanoethylene)