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	hartrees
Energy at 0K	-260.519782
Energy at 298.15K	-260.521251
HF Energy	-260.030824
Nuclear repulsion energy	162.248702

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3276	3048	0.00
2	A_g	2442	2273	0.00
3	A_g	1761	1638	0.00
4	A_g	1420	1321	0.00
5	A_g	1063	989	0.00
6	A_g	577	536	0.00
7	A_g	303	282	0.00
8	A_u	1044	972	70.90
9	A_u	653	607	0.78
10	A_u	143	133	12.89
11	B_g	958	892	0.00
12	B_g	460	428	0.00
13	B_u	3281	3053	5.00
14	B_u	2447	2277	0.59
15	B_u	1402	1304	2.20
16	B_u	1031	960	11.06
17	B_u	608	566	1.47
18	B_u	157	146	16.08

Atom	x (Å)	y (Å)
C1	-0.335	0.578
C2	0.335	-0.578
C3	0.335	1.844
C4	-0.335	-1.844
N5	0.866	2.872
N6	-0.866	-2.872
H7	-1.416	0.601
H8	1.416	-0.601

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3357	1.4320	2.4217	2.5892	3.4905	1.0814	2.1106
C2	1.3357		2.4217	1.4320	3.4905	2.5892	2.1106	1.0814
C3	1.4320	2.4217		3.7479	1.1573	4.8661	2.1467	2.6734
C4	2.4217	1.4320	3.7479		4.8661	1.1573	2.6734	2.1467
N5	2.5892	3.4905	1.1573	4.8661		5.9992	3.2192	3.5163
N6	3.4905	2.5892	4.8661	1.1573	5.9992		3.5163	3.2192
H7	1.0814	2.1106	2.1467	2.6734	3.2192	3.5163		3.0764
H8	2.1106	1.0814	2.6734	2.1467	3.5163	3.2192	3.0764

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	122.056	C1	C2	H8	121.311
C1	C3	N5	179.474	C2	C1	C3	122.056
C2	C1	H7	121.311	C2	C4	N6	179.474
C3	C1	H7	116.633	C4	C2	H8	116.633

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: CID/3-21G*

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: CID/3-21G*

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)