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	hartrees
Energy at 0K	-262.314123
Energy at 298.15K	-262.315167
HF Energy	-261.490321
Nuclear repulsion energy	161.370563

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3240	3067	0.00
2	A_g	2368	2242	0.00
3	A_g	1730	1637	0.00
4	A_g	1358	1286	0.00
5	A_g	1047	991	0.00
6	A_g	536	508	0.00
7	A_g	252	239	0.00
8	A_u	987	934	52.77
9	A_u	532	504	3.60
10	A_u	126	119	16.32
11	B_g	859	813	0.00
12	B_g	366	346	0.00
13	B_u	3243	3069	4.61
14	B_u	2377	2250	1.18
15	B_u	1327	1256	0.79
16	B_u	1033	977	7.95
17	B_u	530	502	0.76
18	B_u	136	129	18.98

Atom	x (Å)	y (Å)
C1	-0.341	0.579
C2	0.341	-0.579
C3	0.341	1.848
C4	-0.341	-1.848
N5	0.878	2.882
N6	-0.878	-2.882
H7	-1.428	0.601
H8	1.428	-0.601

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3438	1.4399	2.4270	2.6057	3.5030	1.0874	2.1260
C2	1.3438		2.4270	1.4399	3.5030	2.6057	2.1260	1.0874
C3	1.4399	2.4270		3.7579	1.1659	4.8846	2.1634	2.6796
C4	2.4270	1.4399	3.7579		4.8846	1.1659	2.6796	2.1634
N5	2.6057	3.5030	1.1659	4.8846		6.0263	3.2436	3.5266
N6	3.5030	2.6057	4.8846	1.1659	6.0263		3.5266	3.2436
H7	1.0874	2.1260	2.1634	2.6796	3.2436	3.5266		3.0983
H8	2.1260	1.0874	2.6796	2.1634	3.5266	3.2436	3.0983

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.323	C1	C2	H8	121.614
C1	C3	N5	179.246	C2	C1	C3	121.323
C2	C1	H7	121.614	C2	C4	N6	179.246
C3	C1	H7	117.063	C4	C2	H8	117.063

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: CCD/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: CCD/6-31G*

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)