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	hartrees
Energy at 0K	-262.840298
Energy at 298.15K	-262.841384
HF Energy	-262.557343
Nuclear repulsion energy	161.092299

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3222	3089	0.00
2	A_g	2263	2169	0.00
3	A_g	1673	1603	0.00
4	A_g	1312	1258	0.00
5	A_g	1025	983	0.00
6	A_g	533	511	0.00
7	A_g	252	242	0.00
8	A_u	980	939	43.96
9	A_u	549	527	1.94
10	A_u	126	121	13.73
11	B_g	852	817	0.00
12	B_g	380	365	0.00
13	B_u	3228	3094	6.86
14	B_u	2278	2184	0.62
15	B_u	1274	1221	1.37
16	B_u	1029	986	8.27
17	B_u	528	506	1.09
18	B_u	135	129	15.81

Atom	x (Å)	y (Å)
C1	-0.338	0.585
C2	0.338	-0.585
C3	0.338	1.848
C4	-0.338	-1.848
N5	0.873	2.891
N6	-0.873	-2.891
H7	-1.429	0.606
H8	1.429	-0.606

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3516	1.4313	2.4331	2.6038	3.5174	1.0919	2.1308
C2	1.3516		2.4331	1.4313	3.5174	2.6038	2.1308	1.0919
C3	1.4313	2.4331		3.7564	1.1726	4.8906	2.1596	2.6852
C4	2.4331	1.4313	3.7564		4.8906	1.1726	2.6852	2.1596
N5	2.6038	3.5174	1.1726	4.8906		6.0396	3.2438	3.5405
N6	3.5174	2.6038	4.8906	1.1726	6.0396		3.5405	3.2438
H7	1.0919	2.1308	2.1596	2.6852	3.2438	3.5405		3.1045
H8	2.1308	1.0919	2.6852	2.1596	3.5405	3.2438	3.1045

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.900	C1	C2	H8	121.017
C1	C3	N5	179.026	C2	C1	C3	121.900
C2	C1	H7	121.017	C2	C4	N6	179.026
C3	C1	H7	117.082	C4	C2	H8	117.082

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: B2PLYP=FULL/cc-pVDZ

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: B2PLYP=FULL/cc-pVDZ

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)