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	hartrees
Energy at 0K	-262.442718
Energy at 298.15K	-262.443676
HF Energy	-261.515543
Nuclear repulsion energy	159.873375

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	3207	3111
2	A_g	2231	2164
3	A_g	1646	1597
4	A_g	1306	1267
5	A_g	1005	975
6	A_g	515	500
7	A_g	240	233
8	A_u	950	922
9	A_u	519	504
10	A_u	122	118
11	B_g	815	790
12	B_g	355	345
13	B_u	3212	3115
14	B_u	2242	2175
15	B_u	1271	1233
16	B_u	1003	973
17	B_u	505	490
18	B_u	128	125

Atom	x (Å)	y (Å)
C1	-0.344	0.587
C2	0.344	-0.587
C3	0.344	1.861
C4	-0.344	-1.861
N5	0.888	2.908
N6	-0.888	-2.908
H7	-1.439	0.610
H8	1.439	-0.610

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3617	1.4478	2.4482	2.6279	3.5377	1.0945	2.1475
C2	1.3617		2.4482	1.4478	3.5377	2.6279	2.1475	1.0945
C3	1.4478	2.4482		3.7849	1.1802	4.9259	2.1782	2.7020
C4	2.4482	1.4478	3.7849		4.9259	1.1802	2.7020	2.1782
N5	2.6279	3.5377	1.1802	4.9259		6.0818	3.2707	3.5608
N6	3.5377	2.6279	4.9259	1.1802	6.0818		3.5608	3.2707
H7	1.0945	2.1475	2.1782	2.7020	3.2707	3.5608		3.1249
H8	2.1475	1.0945	2.7020	2.1782	3.5608	3.2707	3.1249

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.218	C1	C2	H8	121.549
C1	C3	N5	179.030	C2	C1	C3	121.218
C2	C1	H7	121.549	C2	C4	N6	179.030
C3	C1	H7	117.234	C4	C2	H8	117.234

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: QCISD(T)=FULL/aug-cc-pVDZ

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)=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)