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	hartrees
Energy at 0K	-262.362885
Energy at 298.15K	-262.363947
HF Energy	-261.502823
Nuclear repulsion energy	161.872529

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3305	3079	0.00
2	A_g	2431	2264	0.00
3	A_g	1734	1616	0.00
4	A_g	1364	1271	0.00
5	A_g	1051	979	0.00
6	A_g	541	504	0.00
7	A_g	255	238	0.00
8	A_u	992	924	55.95
9	A_u	516	481	1.74
10	A_u	125	117	15.95
11	B_g	848	790	0.00
12	B_g	363	338	0.00
13	B_u	3309	3082	6.37
14	B_u	2439	2272	1.07
15	B_u	1332	1241	0.44
16	B_u	1040	969	9.91
17	B_u	534	498	1.09
18	B_u	137	128	19.49

Atom	x (Å)	y (Å)
C1	-0.341	0.579
C2	0.341	-0.579
C3	0.341	1.844
C4	-0.341	-1.844
N5	0.873	2.875
N6	-0.873	-2.875
H7	-1.419	0.602
H8	1.419	-0.602

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3431	1.4368	2.4227	2.5969	3.4944	1.0791	2.1193
C2	1.3431		2.4227	1.4368	3.4944	2.5969	2.1193	1.0791
C3	1.4368	2.4227		3.7502	1.1602	4.8722	2.1540	2.6733
C4	2.4227	1.4368	3.7502		4.8722	1.1602	2.6733	2.1540
N5	2.5969	3.4944	1.1602	4.8722		6.0088	3.2281	3.5194
N6	3.4944	2.5969	4.8722	1.1602	6.0088		3.5194	3.2281
H7	1.0791	2.1193	2.1540	2.6733	3.2281	3.5194		3.0836
H8	2.1193	1.0791	2.6733	2.1540	3.5194	3.2281	3.0836

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.237	C1	C2	H8	121.701
C1	C3	N5	179.026	C2	C1	C3	121.237
C2	C1	H7	121.701	C2	C4	N6	179.026
C3	C1	H7	117.061	C4	C2	H8	117.061

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: MP3=FULL/6-31+G**

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=FULL/6-31+G**

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)