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	hartrees
Energy at 0K	-262.341796
Energy at 298.15K	-262.342829
HF Energy	-261.492921
Nuclear repulsion energy	161.155342

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3277	3085	0.00
2	A_g	2336	2200	0.00
3	A_g	1721	1620	0.00
4	A_g	1357	1278	0.00
5	A_g	1039	978	0.00
6	A_g	531	500	0.00
7	A_g	250	235	0.00
8	A_u	993	935	47.02
9	A_u	528	497	3.44
10	A_u	125	117	16.13
11	B_g	848	798	0.00
12	B_g	363	342	0.00
13	B_u	3279	3087	4.29
14	B_u	2343	2206	0.49
15	B_u	1324	1247	0.59
16	B_u	1024	964	6.92
17	B_u	524	493	0.85
18	B_u	135	127	18.52

Atom	x (Å)	y (Å)
C1	-0.341	0.580
C2	0.341	-0.580
C3	0.341	1.850
C4	-0.341	-1.850
N5	0.879	2.888
N6	-0.879	-2.888
H7	-1.422	0.602
H8	1.422	-0.602

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3455	1.4410	2.4299	2.6103	3.5094	1.0817	2.1228
C2	1.3455		2.4299	1.4410	3.5094	2.6103	2.1228	1.0817
C3	1.4410	2.4299		3.7618	1.1694	4.8921	2.1597	2.6800
C4	2.4299	1.4410	3.7618		4.8921	1.1694	2.6800	2.1597
N5	2.6103	3.5094	1.1694	4.8921		6.0373	3.2435	3.5320
N6	3.5094	2.6103	4.8921	1.1694	6.0373		3.5320	3.2435
H7	1.0817	2.1228	2.1597	2.6800	3.2435	3.5320		3.0890
H8	2.1228	1.0817	2.6800	2.1597	3.5320	3.2435	3.0890

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.348	C1	C2	H8	121.605
C1	C3	N5	179.205	C2	C1	C3	121.348
C2	C1	H7	121.605	C2	C4	N6	179.205
C3	C1	H7	117.047	C4	C2	H8	117.047

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: QCISD/6-31G**

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/6-31G**

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)