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	hartrees
Energy at 0K	-262.638982
Energy at 298.15K	-262.639970
HF Energy	-261.578649
Nuclear repulsion energy	161.627914

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	3200	3104
2	A_g	2262	2194
3	A_g	1655	1605
4	A_g	1316	1276
5	A_g	1012	982
6	A_g	521	506
7	A_g	242	235
8	A_u	966	937
9	A_u	524	509
10	A_u	121	118
11	B_g	836	811
12	B_g	358	347
13	B_u	3205	3108
14	B_u	2273	2204
15	B_u	1280	1241
16	B_u	1006	976
17	B_u	512	497
18	B_u	129	125

Atom	x (Å)	y (Å)
C1	-0.340	0.581
C2	0.340	-0.581
C3	0.340	1.844
C4	-0.340	-1.844
N5	0.875	2.878
N6	-0.875	-2.878
H7	-1.423	0.602
H8	1.423	-0.602

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3467	1.4345	2.4250	2.5990	3.5006	1.0830	2.1232
C2	1.3467		2.4250	1.4345	3.5006	2.5990	2.1232	1.0830
C3	1.4345	2.4250		3.7500	1.1647	4.8762	2.1570	2.6744
C4	2.4250	1.4345	3.7500		4.8762	1.1647	2.6744	2.1570
N5	2.5990	3.5006	1.1647	4.8762		6.0170	3.2351	3.5228
N6	3.5006	2.5990	4.8762	1.1647	6.0170		3.5228	3.2351
H7	1.0830	2.1232	2.1570	2.6744	3.2351	3.5228		3.0899
H8	2.1232	1.0830	2.6744	2.1570	3.5228	3.2351	3.0899

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.332	C1	C2	H8	121.433
C1	C3	N5	179.031	C2	C1	C3	121.332
C2	C1	H7	121.433	C2	C4	N6	179.031
C3	C1	H7	117.235	C4	C2	H8	117.235

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: CCSD(T)/aug-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(T)/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)