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	hartrees
Energy at 0K	-262.444867
Energy at 298.15K	-262.445905
HF Energy	-261.570676
Nuclear repulsion energy	161.997436

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3237	3092	0.00
2	A_g	2336	2232	0.00
3	A_g	1702	1625	0.00
4	A_g	1351	1290	0.00
5	A_g	1032	986	0.00
6	A_g	535	511	0.00
7	A_g	252	240	0.00
8	A_u	976	932	50.18
9	A_u	517	494	1.92
10	A_u	122	116	15.63
11	B_g	846	809	0.00
12	B_g	357	341	0.00
13	B_u	3241	3096	5.61
14	B_u	2344	2239	0.36
15	B_u	1318	1259	0.54
16	B_u	1014	969	7.48
17	B_u	531	507	1.15
18	B_u	135	129	18.25

Atom	x (Å)	y (Å)
C1	-0.340	0.578
C2	0.340	-0.578
C3	0.340	1.843
C4	-0.340	-1.843
N5	0.876	2.871
N6	-0.876	-2.871
H7	-1.422	0.601
H8	1.422	-0.601

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3399	1.4365	2.4208	2.5952	3.4895	1.0825	2.1192
C2	1.3399		2.4208	1.4365	3.4895	2.5952	2.1192	1.0825
C3	1.4365	2.4208		3.7487	1.1588	4.8680	2.1556	2.6730
C4	2.4208	1.4365	3.7487		4.8680	1.1588	2.6730	2.1556
N5	2.5952	3.4895	1.1588	4.8680		6.0024	3.2297	3.5141
N6	3.4895	2.5952	4.8680	1.1588	6.0024		3.5141	3.2297
H7	1.0825	2.1192	2.1556	2.6730	3.2297	3.5141		3.0871
H8	2.1192	1.0825	2.6730	2.1556	3.5141	3.2297	3.0871

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.329	C1	C2	H8	121.691
C1	C3	N5	179.349	C2	C1	C3	121.329
C2	C1	H7	121.691	C2	C4	N6	179.349
C3	C1	H7	116.981	C4	C2	H8	116.981

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: QCISD/TZVP

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/TZVP

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)