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	hartrees
Energy at 0K	-260.617575
Energy at 298.15K	-260.618866
HF Energy	-260.018639
Nuclear repulsion energy	160.115799

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3205	3049	0.00
2	A_g	2123	2020	0.00
3	A_g	1645	1565	0.00
4	A_g	1377	1310	0.00
5	A_g	1020	971	0.00
6	A_g	545	518	0.00
7	A_g	287	273	0.00
8	A_u	1000	952	65.05
9	A_u	614	584	0.59
10	A_u	136	130	10.81
11	B_g	888	845	0.00
12	B_g	430	409	0.00
13	B_u	3212	3056	3.16
14	B_u	2137	2033	22.46
15	B_u	1367	1300	1.37
16	B_u	987	939	3.44
17	B_u	572	544	1.91
18	B_u	149	142	13.62

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	0.889	2.908
N6	-0.889	-2.908
H7	-1.424	0.603
H8	1.424	-0.603

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3532	1.4343	2.4397	2.6248	3.5379	1.0873	2.1255
C2	1.3532		2.4397	1.4343	3.5379	2.6248	2.1255	1.0873
C3	1.4343	2.4397		3.7667	1.1905	4.9161	2.1592	2.6863
C4	2.4397	1.4343	3.7667		4.9161	1.1905	2.6863	2.1592
N5	2.6248	3.5379	1.1905	4.9161		6.0813	3.2649	3.5519
N6	3.5379	2.6248	4.9161	1.1905	6.0813		3.5519	3.2649
H7	1.0873	2.1255	2.1592	2.6863	3.2649	3.5519		3.0934
H8	2.1255	1.0873	2.6863	2.1592	3.5519	3.2649	3.0934

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	122.118	C1	C2	H8	120.743
C1	C3	N5	179.597	C2	C1	C3	122.118
C2	C1	H7	120.743	C2	C4	N6	179.597
C3	C1	H7	117.139	C4	C2	H8	117.139

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)