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	hartrees
Energy at 0K	-262.397696
Energy at 298.15K	-262.398744
HF Energy	-261.519540
Nuclear repulsion energy	160.464269

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3232	3232	0.00
2	A_g	2313	2313	0.00
3	A_g	1698	1698	0.00
4	A_g	1326	1326	0.00
5	A_g	1020	1020	0.00
6	A_g	526	526	0.00
7	A_g	248	248	0.00
8	A_u	976	976	44.65
9	A_u	536	536	2.19
10	A_u	126	126	16.37
11	B_g	844	844	0.00
12	B_g	367	367	0.00
13	B_u	3236	3236	6.18
14	B_u	2321	2321	0.37
15	B_u	1289	1289	0.66
16	B_u	1015	1015	7.46
17	B_u	520	520	1.00
18	B_u	133	133	19.74

Atom	x (Å)	y (Å)
C1	-0.343	0.583
C2	0.343	-0.583
C3	0.343	1.859
C4	-0.343	-1.859
N5	0.880	2.900
N6	-0.880	-2.900
H7	-1.435	0.606
H8	1.435	-0.606

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3527	1.4486	2.4422	2.6198	3.5244	1.0923	2.1386
C2	1.3527		2.4422	1.4486	3.5244	2.6198	2.1386	1.0923
C3	1.4486	2.4422		3.7810	1.1713	4.9139	2.1750	2.6962
C4	2.4422	1.4486	3.7810		4.9139	1.1713	2.6962	2.1750
N5	2.6198	3.5244	1.1713	4.9139		6.0614	3.2589	3.5499
N6	3.5244	2.6198	4.9139	1.1713	6.0614		3.5499	3.2589
H7	1.0923	2.1386	2.1750	2.6962	3.2589	3.5499		3.1152
H8	2.1386	1.0923	2.6962	2.1750	3.5499	3.2589	3.1152

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.302	C1	C2	H8	121.653
C1	C3	N5	179.027	C2	C1	C3	121.302
C2	C1	H7	121.653	C2	C4	N6	179.027
C3	C1	H7	117.045	C4	C2	H8	117.045

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

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

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)