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	hartrees
Energy at 0K	-262.382596
Energy at 298.15K	-262.383628
HF Energy	-261.519130
Nuclear repulsion energy	160.326381

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3227	3109	0.00
2	A_g	2308	2224	0.00
3	A_g	1694	1632	0.00
4	A_g	1325	1277	0.00
5	A_g	1019	981	0.00
6	A_g	524	505	0.00
7	A_g	247	238	0.00
8	A_u	975	939	44.61
9	A_u	532	513	2.15
10	A_u	125	120	16.35
11	B_g	841	811	0.00
12	B_g	364	350	0.00
13	B_u	3231	3113	6.14
14	B_u	2316	2231	0.40
15	B_u	1289	1242	0.65
16	B_u	1012	975	7.55
17	B_u	518	499	1.02
18	B_u	133	128	19.69

Atom	x (Å)	y (Å)
C1	-0.343	0.583
C2	0.343	-0.583
C3	0.343	1.861
C4	-0.343	-1.861
N5	0.880	2.903
N6	-0.880	-2.903
H7	-1.436	0.606
H8	1.436	-0.606

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3538	1.4503	2.4443	2.6223	3.5272	1.0933	2.1406
C2	1.3538		2.4443	1.4503	3.5272	2.6223	2.1406	1.0933
C3	1.4503	2.4443		3.7845	1.1721	4.9182	2.1773	2.6985
C4	2.4443	1.4503	3.7845		4.9182	1.1721	2.6985	2.1773
N5	2.6223	3.5272	1.1721	4.9182		6.0664	3.2619	3.5527
N6	3.5272	2.6223	4.9182	1.1721	6.0664		3.5527	3.2619
H7	1.0933	2.1406	2.1773	2.6985	3.2619	3.5527		3.1180
H8	2.1406	1.0933	2.6985	2.1773	3.5527	3.2619	3.1180

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.273	C1	C2	H8	121.673
C1	C3	N5	179.025	C2	C1	C3	121.273
C2	C1	H7	121.673	C2	C4	N6	179.025
C3	C1	H7	117.054	C4	C2	H8	117.054

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: CCSD/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: CCSD/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)