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	hartrees
Energy at 0K	-262.421183
Energy at 298.15K	-262.422106
HF Energy	-261.497307
Nuclear repulsion energy	160.782957

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	3253	3253
2	A_g	2266	2266
3	A_g	1670	1670
4	A_g	1339	1339
5	A_g	1026	1026
6	A_g	522	522
7	A_g	243	243
8	A_u	961	961
9	A_u	490	490
10	A_u	120	120
11	B_g	814	814
12	B_g	342	342
13	B_u	3257	3257
14	B_u	2277	2277
15	B_u	1311	1311
16	B_u	1014	1014
17	B_u	510	510
18	B_u	130	130

Atom	x (Å)	y (Å)
C1	-0.342	0.584
C2	0.342	-0.584
C3	0.342	1.850
C4	-0.342	-1.850
N5	0.883	2.893
N6	-0.883	-2.893
H7	-1.425	0.607
H8	1.425	-0.607

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3534	1.4384	2.4336	2.6140	3.5190	1.0829	2.1305
C2	1.3534		2.4336	1.4384	3.5190	2.6140	2.1305	1.0829
C3	1.4384	2.4336		3.7618	1.1757	4.8984	2.1596	2.6846
C4	2.4336	1.4384	3.7618		4.8984	1.1757	2.6846	2.1596
N5	2.6140	3.5190	1.1757	4.8984		6.0499	3.2485	3.5418
N6	3.5190	2.6140	4.8984	1.1757	6.0499		3.5418	3.2485
H7	1.0829	2.1305	2.1596	2.6846	3.2485	3.5418		3.0970
H8	2.1305	1.0829	2.6846	2.1596	3.5418	3.2485	3.0970

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.273	C1	C2	H8	121.564
C1	C3	N5	179.041	C2	C1	C3	121.273
C2	C1	H7	121.564	C2	C4	N6	179.041
C3	C1	H7	117.163	C4	C2	H8	117.163

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: QCISD(T)=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: QCISD(T)=FULL/6-31+G**

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)