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	hartrees
Energy at 0K	-262.359356
Energy at 298.15K	-262.360404
HF Energy	-261.509878
Nuclear repulsion energy	160.468209

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3240	3240	0.00
2	A_g	2332	2332	0.00
3	A_g	1708	1708	0.00
4	A_g	1322	1322	0.00
5	A_g	1024	1024	0.00
6	A_g	528	528	0.00
7	A_g	250	250	0.00
8	A_u	983	983	45.58
9	A_u	537	537	1.95
10	A_u	125	125	13.83
11	B_g	845	845	0.00
12	B_g	369	369	0.00
13	B_u	3244	3244	5.86
14	B_u	2339	2339	1.08
15	B_u	1284	1284	0.65
16	B_u	1020	1020	8.31
17	B_u	520	520	1.08
18	B_u	134	134	16.37

Atom	x (Å)	y (Å)
C1	-0.342	0.583
C2	0.342	-0.583
C3	0.342	1.860
C4	-0.342	-1.860
N5	0.881	2.900
N6	-0.881	-2.900
H7	-1.436	0.605
H8	1.436	-0.605

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3525	1.4479	2.4431	2.6191	3.5246	1.0941	2.1386
C2	1.3525		2.4431	1.4479	3.5246	2.6191	2.1386	1.0941
C3	1.4479	2.4431		3.7816	1.1713	4.9139	2.1757	2.6968
C4	2.4431	1.4479	3.7816		4.9139	1.1713	2.6968	2.1757
N5	2.6191	3.5246	1.1713	4.9139		6.0610	3.2603	3.5488
N6	3.5246	2.6191	4.9139	1.1713	6.0610		3.5488	3.2603
H7	1.0941	2.1386	2.1757	2.6968	3.2603	3.5488		3.1164
H8	2.1386	1.0941	2.6968	2.1757	3.5488	3.2603	3.1164

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.445	C1	C2	H8	121.519
C1	C3	N5	179.193	C2	C1	C3	121.445
C2	C1	H7	121.519	C2	C4	N6	179.193
C3	C1	H7	117.036	C4	C2	H8	117.036

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

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

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)