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	hartrees
Energy at 0K	-260.627577
Energy at 298.15K	-260.628867
HF Energy	-260.018728
Nuclear repulsion energy	160.137586

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3206	3039	0.00
2	A_g	2124	2013	0.00
3	A_g	1646	1560	0.00
4	A_g	1377	1306	0.00
5	A_g	1021	967	0.00
6	A_g	545	517	0.00
7	A_g	287	272	0.00
8	A_u	1001	949	65.04
9	A_u	613	581	0.59
10	A_u	136	129	10.81
11	B_g	889	842	0.00
12	B_g	430	408	0.00
13	B_u	3212	3045	3.19
14	B_u	2137	2026	22.49
15	B_u	1367	1296	1.39
16	B_u	987	936	3.43
17	B_u	572	542	1.91
18	B_u	149	142	13.60

Atom	x (Å)	y (Å)
C1	-0.337	0.587
C2	0.337	-0.587
C3	0.337	1.853
C4	-0.337	-1.853
N5	0.888	2.908
N6	-0.888	-2.908
H7	-1.424	0.603
H8	1.424	-0.603

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3530	1.4341	2.4394	2.6245	3.5375	1.0872	2.1251
C2	1.3530		2.4394	1.4341	3.5375	2.6245	2.1251	1.0872
C3	1.4341	2.4394		3.7661	1.1904	4.9154	2.1589	2.6858
C4	2.4394	1.4341	3.7661		4.9154	1.1904	2.6858	2.1589
N5	2.6245	3.5375	1.1904	4.9154		6.0806	3.2645	3.5515
N6	3.5375	2.6245	4.9154	1.1904	6.0806		3.5515	3.2645
H7	1.0872	2.1251	2.1589	2.6858	3.2645	3.5515		3.0929
H8	2.1251	1.0872	2.6858	2.1589	3.5515	3.2645	3.0929

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	122.123	C1	C2	H8	120.738
C1	C3	N5	179.590	C2	C1	C3	122.123
C2	C1	H7	120.738	C2	C4	N6	179.590
C3	C1	H7	117.139	C4	C2	H8	117.139

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: MP2=FULL/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: MP2=FULL/3-21G*

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)