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	hartrees
Energy at 0K	-262.424784
Energy at 298.15K	-262.425864
HF Energy	-261.573239
Nuclear repulsion energy	162.677640

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3268	3056	0.00
2	A_g	2438	2280	0.00
3	A_g	1720	1608	0.00
4	A_g	1358	1270	0.00
5	A_g	1046	979	0.00
6	A_g	545	510	0.00
7	A_g	254	238	0.00
8	A_u	983	919	52.00
9	A_u	521	488	2.00
10	A_u	123	115	15.89
11	B_g	852	797	0.00
12	B_g	363	340	0.00
13	B_u	3273	3061	6.50
14	B_u	2447	2288	0.30
15	B_u	1326	1240	0.46
16	B_u	1033	966	9.61
17	B_u	540	505	1.23
18	B_u	136	128	18.70

Atom	x (Å)	y (Å)
C1	-0.340	0.576
C2	0.340	-0.576
C3	0.340	1.838
C4	-0.340	-1.838
N5	0.873	2.857
N6	-0.873	-2.857
H7	-1.420	0.599
H8	1.420	-0.599

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3374	1.4332	2.4143	2.5830	3.4742	1.0803	2.1155
C2	1.3374		2.4143	1.4332	3.4742	2.5830	2.1155	1.0803
C3	1.4332	2.4143		3.7386	1.1499	4.8491	2.1518	2.6657
C4	2.4143	1.4332	3.7386		4.8491	1.1499	2.6657	2.1518
N5	2.5830	3.4742	1.1499	4.8491		5.9745	3.2178	3.4987
N6	3.4742	2.5830	4.8491	1.1499	5.9745		3.4987	3.2178
H7	1.0803	2.1155	2.1518	2.6657	3.2178	3.4987		3.0815
H8	2.1155	1.0803	2.6657	2.1518	3.4987	3.2178	3.0815

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.203	C1	C2	H8	121.724
C1	C3	N5	179.355	C2	C1	C3	121.203
C2	C1	H7	121.724	C2	C4	N6	179.355
C3	C1	H7	117.073	C4	C2	H8	117.073

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: MP3/TZVP

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: MP3/TZVP

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)