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	hartrees
Energy at 0K	-262.657002
Energy at 298.15K	-262.658173
HF Energy	-261.580625
Nuclear repulsion energy	162.864066

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3256	3087	0.00
2	A_g	2367	2245	0.00
3	A_g	1730	1640	0.00
4	A_g	1346	1276	0.00
5	A_g	1032	978	0.00
6	A_g	535	507	0.00
7	A_g	253	240	0.00
8	A_u	1026	972	48.81
9	A_u	570	540	2.31
10	A_u	133	126	16.41
11	B_g	922	874	0.00
12	B_g	394	373	0.00
13	B_u	3256	3087	6.93
14	B_u	2375	2252	0.22
15	B_u	1311	1243	1.00
16	B_u	1030	976	6.38
17	B_u	530	502	0.86
18	B_u	137	130	19.45

Atom	x (Å)	y (Å)
C1	-0.335	0.576
C2	0.335	-0.576
C3	0.335	1.836
C4	-0.335	-1.836
N5	0.858	2.863
N6	-0.858	-2.863
H7	-1.410	0.595
H8	1.410	-0.595

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3320	1.4273	2.4114	2.5799	3.4781	1.0749	2.1013
C2	1.3320		2.4114	1.4273	3.4781	2.5799	2.1013	1.0749
C3	1.4273	2.4114		3.7323	1.1526	4.8479	2.1409	2.6580
C4	2.4114	1.4273	3.7323		4.8479	1.1526	2.6580	2.1409
N5	2.5799	3.4781	1.1526	4.8479		5.9776	3.2071	3.5020
N6	3.4781	2.5799	4.8479	1.1526	5.9776		3.5020	3.2071
H7	1.0749	2.1013	2.1409	2.6580	3.2071	3.5020		3.0605
H8	2.1013	1.0749	2.6580	2.1409	3.5020	3.2071	3.0605

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.793	C1	C2	H8	121.252
C1	C3	N5	178.981	C2	C1	C3	121.793
C2	C1	H7	121.252	C2	C4	N6	178.981
C3	C1	H7	116.955	C4	C2	H8	116.955

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: CCSD=FULL/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: CCSD=FULL/cc-pVTZ

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)