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	hartrees
Energy at 0K	-262.394726
Energy at 298.15K	-262.395770
HF Energy	-261.538622
Nuclear repulsion energy	161.119422

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3226	3066	0.00
2	A_g	2165	2058	0.00
3	A_g	1658	1575	0.00
4	A_g	1336	1269	0.00
5	A_g	1028	977	0.00
6	A_g	530	504	0.00
7	A_g	248	236	0.00
8	A_u	973	925	58.95
9	A_u	540	513	2.45
10	A_u	125	119	13.88
11	B_g	844	802	0.00
12	B_g	372	353	0.00
13	B_u	3231	3071	6.65
14	B_u	2183	2074	17.03
15	B_u	1309	1244	1.52
16	B_u	1020	969	4.71
17	B_u	526	500	1.04
18	B_u	134	127	17.02

Atom	x (Å)	y (Å)
C1	0.132	-1.869
C2	-0.132	1.869
C3	-0.473	0.482
C4	0.473	-0.482
N5	-0.132	-3.015
N6	0.132	3.015
H7	-1.530	0.227
H8	1.530	-0.227

	C1	C2	C3	C4	N5	N6	H7	H8
C1		3.7480	2.4276	1.4292	1.1756	4.8843	2.6756	2.1565
C2	3.7480		1.4292	2.4276	4.8843	1.1756	2.1565	2.6756
C3	2.4276	1.4292		1.3504	3.5131	2.6047	1.0868	2.1251
C4	1.4292	2.4276	1.3504		2.6047	3.5131	2.1251	1.0868
N5	1.1756	4.8843	3.5131	2.6047		6.0356	3.5309	3.2454
N6	4.8843	1.1756	2.6047	3.5131	6.0356		3.2454	3.5309
H7	2.6756	2.1565	1.0868	2.1251	3.5309	3.2454		3.0937
H8	2.1565	2.6756	2.1251	1.0868	3.2454	3.5309	3.0937

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	10.401	C1	C2	H8	34.363
C1	C3	N5	8.864	C2	C1	C3	10.401
C2	C1	H7	34.363	C2	C4	N6	8.864
C3	C1	H7	23.962	C4	C2	H8	23.962

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)