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	hartrees
Energy at 0K	-262.323430
Energy at 298.15K	-262.324459
HF Energy	-261.489533
Nuclear repulsion energy	161.185174

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3235	3055	0.00
2	A_g	2349	2219	0.00
3	A_g	1720	1624	0.00
4	A_g	1355	1279	0.00
5	A_g	1041	983	0.00
6	A_g	533	504	0.00
7	A_g	251	237	0.00
8	A_u	985	930	52.05
9	A_u	530	501	3.38
10	A_u	125	118	16.16
11	B_g	854	807	0.00
12	B_g	364	344	0.00
13	B_u	3238	3057	4.09
14	B_u	2357	2226	0.72
15	B_u	1324	1250	1.19
16	B_u	1027	970	7.64
17	B_u	526	497	0.81
18	B_u	135	128	18.62

Atom	x (Å)	y (Å)
C1	-0.341	0.580
C2	0.341	-0.580
C3	0.341	1.849
C4	-0.341	-1.849
N5	0.880	2.886
N6	-0.880	-2.886
H7	-1.428	0.602
H8	1.428	-0.602

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3454	1.4408	2.4291	2.6089	3.5072	1.0876	2.1278
C2	1.3454		2.4291	1.4408	3.5072	2.6089	2.1278	1.0876
C3	1.4408	2.4291		3.7608	1.1681	4.8896	2.1643	2.6820
C4	2.4291	1.4408	3.7608		4.8896	1.1681	2.6820	2.1643
N5	2.6089	3.5072	1.1681	4.8896		6.0335	3.2465	3.5309
N6	3.5072	2.6089	4.8896	1.1681	6.0335		3.5309	3.2465
H7	1.0876	2.1278	2.1643	2.6820	3.2465	3.5309		3.1001
H8	2.1278	1.0876	2.6820	2.1643	3.5309	3.2465	3.1001

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.311	C1	C2	H8	121.634
C1	C3	N5	179.230	C2	C1	C3	121.311
C2	C1	H7	121.634	C2	C4	N6	179.230
C3	C1	H7	117.055	C4	C2	H8	117.055

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: CCSD/6-31G*

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/6-31G*

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)