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	hartrees
Energy at 0K	-446.698119
Energy at 298.15K	-446.696291
HF Energy	-445.036093
Nuclear repulsion energy	374.733893

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2141	2033	0.00
2	A_g	1574	1495	0.00
3	A_g	597	567	0.00
4	A_g	523	497	0.00
5	A_g	111	105	0.00
6	A_u	449	426	0.00
7	A_u	78	74	0.00
8	B_1g	361	343	0.00
9	B_1u	2167	2057	46.52
10	B_1u	960	912	8.98
11	B_1u	578	549	0.19
12	B_1u	141	134	14.31
13	B_2g	706	670	0.00
14	B_2g	254	241	0.00
15	B_2u	2159	2050	90.17
16	B_2u	1170	1111	20.27
17	B_2u	416	395	0.03
18	B_2u	99	94	3.30
19	B_3g	2155	2046	0.00
20	B_3g	1299	1233	0.00
21	B_3g	510	485	0.00
22	B_3g	241	229	0.00
23	B_3u	568	540	1.76
24	B_3u	147	139	25.71

Atom	y (Å)	z (Å)
C1	0.000	0.678
C2	0.000	-0.678
C3	1.219	1.425
C4	-1.219	1.425
C5	1.219	-1.425
C6	-1.219	-1.425
N7	2.205	2.047
N8	-2.205	2.047
N9	2.205	-2.047
N10	-2.205	-2.047

	C1	C2	C3	C4	C5	C6	N7	N8	N9	N10
C1		1.3569	1.4289	1.4289	2.4307	2.4307	2.5950	2.5950	3.5058	3.5058
C2	1.3569		2.4307	2.4307	1.4289	1.4289	3.5058	3.5058	2.5950	2.5950
C3	1.4289	2.4307		2.4371	2.8496	3.7496	1.1662	3.4793	3.6095	4.8759
C4	1.4289	2.4307	2.4371		3.7496	2.8496	3.4793	1.1662	4.8759	3.6095
C5	2.4307	1.4289	2.8496	3.7496		2.4371	3.6095	4.8759	1.1662	3.4793
C6	2.4307	1.4289	3.7496	2.8496	2.4371		4.8759	3.6095	3.4793	1.1662
N7	2.5950	3.5058	1.1662	3.4793	3.6095	4.8759		4.4091	4.0949	6.0174
N8	2.5950	3.5058	3.4793	1.1662	4.8759	3.6095	4.4091		6.0174	4.0949
N9	3.5058	2.5950	3.6095	4.8759	1.1662	3.4793	4.0949	6.0174		4.4091
N10	3.5058	2.5950	4.8759	3.6095	3.4793	1.1662	6.0174	4.0949	4.4091

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C5	121.486	C1	C2	C6	121.486
C1	C3	N7	179.214	C1	C4	N8	179.214
C2	C1	C3	121.486	C2	C1	C4	121.486
C2	C5	N9	179.214	C2	C6	N10	179.214
C3	C1	C4	117.027	C5	C2	C6	117.027

All results from a given calculation for C₆N₄ (Tetracyanoethylene)

using model chemistry: MP2/cc-pVTZ

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/cc-pVTZ

States and conformations

All results from a given calculation for C₆N₄ (Tetracyanoethylene)