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	hartrees
Energy at 0K	-262.547793
Energy at 298.15K	-262.548856
HF Energy	-261.571448
Nuclear repulsion energy	162.212238

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3239	3069	0.00
2	A_g	2354	2230	0.00
3	A_g	1708	1618	0.00
4	A_g	1353	1282	0.00
5	A_g	1035	981	0.00
6	A_g	538	509	0.00
7	A_g	254	240	0.00
8	A_u	979	928	50.35
9	A_u	522	495	1.92
10	A_u	123	117	15.60
11	B_g	853	808	0.00
12	B_g	362	343	0.00
13	B_u	3243	3073	5.50
14	B_u	2362	2238	0.48
15	B_u	1321	1252	0.53
16	B_u	1019	965	7.88
17	B_u	534	506	1.12
18	B_u	136	129	18.24

Atom	x (Å)	y (Å)
C1	-0.339	0.577
C2	0.339	-0.577
C3	0.339	1.842
C4	-0.339	-1.842
N5	0.874	2.867
N6	-0.874	-2.867
H7	-1.420	0.600
H8	1.420	-0.600

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3383	1.4350	2.4185	2.5915	3.4852	1.0817	2.1169
C2	1.3383		2.4185	1.4350	3.4852	2.5915	2.1169	1.0817
C3	1.4350	2.4185		3.7451	1.1565	4.8623	2.1534	2.6705
C4	2.4185	1.4350	3.7451		4.8623	1.1565	2.6705	2.1534
N5	2.5915	3.4852	1.1565	4.8623		5.9945	3.2253	3.5100
N6	3.4852	2.5915	4.8623	1.1565	5.9945		3.5100	3.2253
H7	1.0817	2.1169	2.1534	2.6705	3.2253	3.5100		3.0840
H8	2.1169	1.0817	2.6705	2.1534	3.5100	3.2253	3.0840

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.361	C1	C2	H8	121.673
C1	C3	N5	179.344	C2	C1	C3	121.361
C2	C1	H7	121.673	C2	C4	N6	179.344
C3	C1	H7	116.966	C4	C2	H8	116.966

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: CCSD=FULL/TZVP

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 C4H2N2 (Fumaronitrile)

using model chemistry: CCSD=FULL/TZVP

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)