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	hartrees
Energy at 0K	-262.984841
Energy at 298.15K	-262.985970
HF Energy	-262.629825
Nuclear repulsion energy	162.568932

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3214	3072	0.00
2	A_g	2267	2167	0.00
3	A_g	1670	1596	0.00
4	A_g	1332	1273	0.00
5	A_g	1027	982	0.00
6	A_g	535	512	0.00
7	A_g	253	242	0.00
8	A_u	997	953	48.93
9	A_u	557	532	2.34
10	A_u	128	123	16.00
11	B_g	886	847	0.00
12	B_g	383	366	0.00
13	B_u	3220	3077	7.01
14	B_u	2283	2182	0.14
15	B_u	1300	1242	1.49
16	B_u	1025	979	6.28
17	B_u	534	511	0.86
18	B_u	136	130	18.65

Atom	x (Å)	y (Å)
C1	-0.334	0.581
C2	0.334	-0.581
C3	0.334	1.834
C4	-0.334	-1.834
N5	0.859	2.868
N6	-0.859	-2.868
H7	-1.413	0.601
H8	1.413	-0.601

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3397	1.4205	2.4150	2.5798	3.4886	1.0793	2.1088
C2	1.3397		2.4150	1.4205	3.4886	2.5798	2.1088	1.0793
C3	1.4205	2.4150		3.7290	1.1594	4.8515	2.1387	2.6633
C4	2.4150	1.4205	3.7290		4.8515	1.1594	2.6633	2.1387
N5	2.5798	3.4886	1.1594	4.8515		5.9880	3.2099	3.5128
N6	3.4886	2.5798	4.8515	1.1594	5.9880		3.5128	3.2099
H7	1.0793	2.1088	2.1387	2.6633	3.2099	3.5128		3.0707
H8	2.1088	1.0793	2.6633	2.1387	3.5128	3.2099	3.0707

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	122.058	C1	C2	H8	120.955
C1	C3	N5	178.874	C2	C1	C3	122.058
C2	C1	H7	120.955	C2	C4	N6	178.874
C3	C1	H7	116.987	C4	C2	H8	116.987

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/cc-pVTZ

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)