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	hartrees
Energy at 0K	-262.640399
Energy at 298.15K	-262.641386
HF Energy	-261.578414
Nuclear repulsion energy	161.583728

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	3199	3093
2	A_g	2257	2182
3	A_g	1653	1598
4	A_g	1315	1271
5	A_g	1011	978
6	A_g	521	504
7	A_g	242	234
8	A_u	965	933
9	A_u	524	507
10	A_u	122	118
11	B_g	835	807
12	B_g	358	346
13	B_u	3204	3097
14	B_u	2267	2192
15	B_u	1279	1237
16	B_u	1005	971
17	B_u	512	495
18	B_u	129	124

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	0.876	2.879
N6	-0.876	-2.879
H7	-1.423	0.602
H8	1.423	-0.602

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3470	1.4347	2.4254	2.5998	3.5015	1.0831	2.1234
C2	1.3470		2.4254	1.4347	3.5015	2.5998	2.1234	1.0831
C3	1.4347	2.4254		3.7506	1.1653	4.8774	2.1572	2.6749
C4	2.4254	1.4347	3.7506		4.8774	1.1653	2.6749	2.1572
N5	2.5998	3.5015	1.1653	4.8774		6.0188	3.2360	3.5236
N6	3.5015	2.5998	4.8774	1.1653	6.0188		3.5236	3.2360
H7	1.0831	2.1234	2.1572	2.6749	3.2360	3.5236		3.0902
H8	2.1234	1.0831	2.6749	2.1572	3.5236	3.2360	3.0902

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.336	C1	C2	H8	121.429
C1	C3	N5	179.038	C2	C1	C3	121.336
C2	C1	H7	121.429	C2	C4	N6	179.038
C3	C1	H7	117.235	C4	C2	H8	117.235

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

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

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)