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	hartrees
Energy at 0K	-262.321390
Energy at 298.15K	-262.322392
HF Energy	-261.486643
Nuclear repulsion energy	160.895486

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3280	3071	0.00
2	A_g	2181	2042	0.00
3	A_g	1681	1574	0.00
4	A_g	1350	1264	0.00
5	A_g	1041	975	0.00
6	A_g	529	496	0.00
7	A_g	245	230	0.00
8	A_u	992	929	48.11
9	A_u	522	489	3.72
10	A_u	123	115	15.36
11	B_g	838	785	0.00
12	B_g	359	336	0.00
13	B_u	3284	3075	6.23
14	B_u	2198	2058	15.04
15	B_u	1317	1233	0.53
16	B_u	1032	966	3.87
17	B_u	518	486	0.78
18	B_u	132	124	17.66

Atom	x (Å)	y (Å)
C1	-0.340	0.583
C2	0.340	-0.583
C3	0.340	1.840
C4	-0.340	-1.840
N5	0.889	2.889
N6	-0.889	-2.889
H7	-1.422	0.599
H8	1.422	-0.599

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3503	1.4288	2.4237	2.6129	3.5160	1.0823	2.1216
C2	1.3503		2.4237	1.4288	3.5160	2.6129	2.1216	1.0823
C3	1.4288	2.4237		3.7427	1.1842	4.8867	2.1553	2.6682
C4	2.4237	1.4288	3.7427		4.8867	1.1842	2.6682	2.1553
N5	2.6129	3.5160	1.1842	4.8867		6.0461	3.2539	3.5286
N6	3.5160	2.6129	4.8867	1.1842	6.0461		3.5286	3.2539
H7	1.0823	2.1216	2.1553	2.6682	3.2539	3.5286		3.0857
H8	2.1216	1.0823	2.6682	2.1553	3.5286	3.2539	3.0857

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.381	C1	C2	H8	121.024
C1	C3	N5	179.223	C2	C1	C3	121.381
C2	C1	H7	121.024	C2	C4	N6	179.223
C3	C1	H7	117.595	C4	C2	H8	117.595

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: MP2/6-31G**

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: MP2/6-31G**

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)