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	hartrees
Energy at 0K	-262.623742
Energy at 298.15K	-262.624749
HF Energy	-261.575928
Nuclear repulsion energy	161.571296

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	3208	3043
2	A_g	2261	2145
3	A_g	1655	1570
4	A_g	1317	1249
5	A_g	1012	960
6	A_g	522	495
7	A_g	243	231
8	A_u	974	924
9	A_u	530	503
10	A_u	123	117
11	B_g	841	798
12	B_g	363	345
13	B_u	3212	3046
14	B_u	2272	2155
15	B_u	1283	1217
16	B_u	1004	953
17	B_u	514	487
18	B_u	130	123

Atom	x (Å)	y (Å)
C1	-0.340	0.581
C2	0.340	-0.581
C3	0.340	1.845
C4	-0.340	-1.845
N5	0.876	2.879
N6	-0.876	-2.879
H7	-1.422	0.601
H8	1.422	-0.601

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3471	1.4348	2.4262	2.6001	3.5021	1.0823	2.1224
C2	1.3471		2.4262	1.4348	3.5021	2.6001	2.1224	1.0823
C3	1.4348	2.4262		3.7517	1.1653	4.8783	2.1568	2.6748
C4	2.4262	1.4348	3.7517		4.8783	1.1653	2.6748	2.1568
N5	2.6001	3.5021	1.1653	4.8783		6.0196	3.2360	3.5234
N6	3.5021	2.6001	4.8783	1.1653	6.0196		3.5234	3.2360
H7	1.0823	2.1224	2.1568	2.6748	3.2360	3.5234		3.0882
H8	2.1224	1.0823	2.6748	2.1568	3.5234	3.2360	3.0882

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.380	C1	C2	H8	121.382
C1	C3	N5	179.092	C2	C1	C3	121.380
C2	C1	H7	121.382	C2	C4	N6	179.092
C3	C1	H7	117.238	C4	C2	H8	117.238

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: QCISD(T)/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 C4H2N2 (Fumaronitrile)

using model chemistry: QCISD(T)/cc-pVTZ

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)