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	hartrees
Energy at 0K	-261.977311
Energy at 298.15K	-261.978196
HF Energy	-261.365350
Nuclear repulsion energy	159.339937

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3171	3056	0.00
2	A_g	2241	2159	0.00
3	A_g	1673	1612	0.00
4	A_g	1358	1309	0.00
5	A_g	1020	983	0.00
6	A_g	520	501	0.00
7	A_g	241	232	0.00
8	A_u	974	939	55.98
9	A_u	488	470	0.51
10	A_u	116	112	15.48
11	B_g	856	825	0.00
12	B_g	309	298	0.00
13	B_u	3174	3058	3.65
14	B_u	2248	2166	0.60
15	B_u	1341	1292	0.78
16	B_u	996	959	8.53
17	B_u	511	492	1.77
18	B_u	132	127	17.19

Atom	x (Å)	y (Å)
C1	-0.340	0.590
C2	0.340	-0.590
C3	0.340	1.871
C4	-0.340	-1.871
N5	0.883	2.925
N6	-0.883	-2.925
H7	-1.433	0.614
H8	1.433	-0.614

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3612	1.4505	2.4608	2.6367	3.5570	1.0930	2.1425
C2	1.3612		2.4608	1.4505	3.5570	2.6367	2.1425	1.0930
C3	1.4505	2.4608		3.8035	1.1862	4.9502	2.1731	2.7147
C4	2.4608	1.4505	3.8035		4.9502	1.1862	2.7147	2.1731
N5	2.6367	3.5570	1.1862	4.9502		6.1119	3.2722	3.5817
N6	3.5570	2.6367	4.9502	1.1862	6.1119		3.5817	3.2722
H7	1.0930	2.1425	2.1731	2.7147	3.2722	3.5817		3.1172
H8	2.1425	1.0930	2.7147	2.1731	3.5817	3.2722	3.1172

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	122.105	C1	C2	H8	121.221
C1	C3	N5	179.335	C2	C1	C3	122.105
C2	C1	H7	121.221	C2	C4	N6	179.335
C3	C1	H7	116.673	C4	C2	H8	116.673

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: QCISD/6-31G

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/6-31G

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)