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	hartrees
Energy at 0K	-262.652108
Energy at 298.15K	-262.653074
HF Energy	-261.574226
Nuclear repulsion energy	161.191888

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	3192	3106
2	A_g	2138	2080
3	A_g	1632	1589
4	A_g	1310	1275
5	A_g	1007	980
6	A_g	517	503
7	A_g	239	233
8	A_u	965	939
9	A_u	522	508
10	A_u	121	118
11	B_g	835	813
12	B_g	356	346
13	B_u	3197	3111
14	B_u	2156	2098
15	B_u	1274	1240
16	B_u	1000	974
17	B_u	507	493
18	B_u	127	124

Atom	x (Å)	y (Å)
C1	-0.340	0.583
C2	0.340	-0.583
C3	0.340	1.843
C4	-0.340	-1.843
N5	0.882	2.885
N6	-0.882	-2.885
H7	-1.424	0.601
H8	1.424	-0.601

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3499	1.4312	2.4260	2.6061	3.5106	1.0840	2.1243
C2	1.3499		2.4260	1.4312	3.5106	2.6061	2.1243	1.0840
C3	1.4312	2.4260		3.7477	1.1750	4.8834	2.1565	2.6738
C4	2.4260	1.4312	3.7477		4.8834	1.1750	2.6738	2.1565
N5	2.6061	3.5106	1.1750	4.8834		6.0341	3.2451	3.5286
N6	3.5106	2.6061	4.8834	1.1750	6.0341		3.5286	3.2451
H7	1.0840	2.1243	2.1565	2.6738	3.2451	3.5286		3.0908
H8	2.1243	1.0840	2.6738	2.1565	3.5286	3.2451	3.0908

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.429	C1	C2	H8	121.191
C1	C3	N5	179.125	C2	C1	C3	121.429
C2	C1	H7	121.191	C2	C4	N6	179.125
C3	C1	H7	117.380	C4	C2	H8	117.380

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: MP4/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: MP4/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)