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	hartrees
Energy at 0K	-262.349307
Energy at 298.15K	-262.350372
HF Energy	-261.489996
Nuclear repulsion energy	161.355413

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3236	3073	0.00
2	A_g	2357	2238	0.00
3	A_g	1723	1637	0.00
4	A_g	1356	1288	0.00
5	A_g	1043	991	0.00
6	A_g	535	508	0.00
7	A_g	254	241	0.00
8	A_u	988	938	52.14
9	A_u	543	515	3.48
10	A_u	127	121	16.12
11	B_g	860	817	0.00
12	B_g	375	356	0.00
13	B_u	3238	3076	4.07
14	B_u	2364	2245	0.64
15	B_u	1326	1259	1.27
16	B_u	1029	977	7.56
17	B_u	531	504	0.76
18	B_u	136	130	18.68

Atom	x (Å)	y (Å)
C1	-0.340	0.579
C2	0.340	-0.579
C3	0.340	1.847
C4	-0.340	-1.847
N5	0.878	2.883
N6	-0.878	-2.883
H7	-1.427	0.602
H8	1.427	-0.602

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3440	1.4388	2.4266	2.6057	3.5039	1.0873	2.1260
C2	1.3440		2.4266	1.4388	3.5039	2.6057	2.1260	1.0873
C3	1.4388	2.4266		3.7564	1.1670	4.8845	2.1624	2.6793
C4	2.4266	1.4388	3.7564		4.8845	1.1670	2.6793	2.1624
N5	2.6057	3.5039	1.1670	4.8845		6.0273	3.2430	3.5279
N6	3.5039	2.6057	4.8845	1.1670	6.0273		3.5279	3.2430
H7	1.0873	2.1260	2.1624	2.6793	3.2430	3.5279		3.0981
H8	2.1260	1.0873	2.6793	2.1624	3.5279	3.2430	3.0981

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.344	C1	C2	H8	121.600
C1	C3	N5	179.183	C2	C1	C3	121.344
C2	C1	H7	121.600	C2	C4	N6	179.183
C3	C1	H7	117.056	C4	C2	H8	117.056

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: CCSD=FULL/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: CCSD=FULL/6-31G*

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)