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	hartrees
Energy at 0K	-262.578495
Energy at 298.15K	-262.579511
HF Energy	-261.574821
Nuclear repulsion energy	161.696264

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3223	3072	0.00
2	A_g	2159	2057	0.00
3	A_g	1650	1573	0.00
4	A_g	1320	1257	0.00
5	A_g	1022	974	0.00
6	A_g	525	500	0.00
7	A_g	242	231	0.00
8	A_u	980	934	45.66
9	A_u	531	506	2.42
10	A_u	123	117	16.11
11	B_g	849	809	0.00
12	B_g	361	344	0.00
13	B_u	3228	3076	9.97
14	B_u	2177	2075	8.92
15	B_u	1283	1223	0.76
16	B_u	1020	972	4.14
17	B_u	514	490	0.81
18	B_u	130	124	19.37

Atom	x (Å)	y (Å)
C1	-0.339	0.582
C2	0.339	-0.582
C3	0.339	1.834
C4	-0.339	-1.834
N5	0.881	2.875
N6	-0.881	-2.875
H7	-1.420	0.596
H8	1.420	-0.596

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3460	1.4238	2.4156	2.5977	3.4992	1.0818	2.1166
C2	1.3460		2.4156	1.4238	3.4992	2.5977	2.1166	1.0818
C3	1.4238	2.4156		3.7299	1.1740	4.8647	2.1513	2.6595
C4	2.4156	1.4238	3.7299		4.8647	1.1740	2.6595	2.1513
N5	2.5977	3.4992	1.1740	4.8647		6.0145	3.2392	3.5127
N6	3.4992	2.5977	4.8647	1.1740	6.0145		3.5127	3.2392
H7	1.0818	2.1166	2.1513	2.6595	3.2392	3.5127		3.0804
H8	2.1166	1.0818	2.6595	2.1513	3.5127	3.2392	3.0804

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.383	C1	C2	H8	120.950
C1	C3	N5	179.088	C2	C1	C3	121.383
C2	C1	H7	120.950	C2	C4	N6	179.088
C3	C1	H7	117.666	C4	C2	H8	117.666

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: MP2/aug-cc-pVTZ

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/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)