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	hartrees
Energy at 0K	-262.349305
Energy at 298.15K	-262.350337
HF Energy	-261.509018
Nuclear repulsion energy	160.252140

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3234	3102	0.00
2	A_g	2315	2221	0.00
3	A_g	1701	1632	0.00
4	A_g	1320	1266	0.00
5	A_g	1020	979	0.00
6	A_g	526	504	0.00
7	A_g	248	238	0.00
8	A_u	979	940	45.49
9	A_u	534	512	1.98
10	A_u	124	119	13.87
11	B_g	839	805	0.00
12	B_g	367	352	0.00
13	B_u	3236	3105	6.00
14	B_u	2322	2228	0.57
15	B_u	1281	1229	0.70
16	B_u	1014	973	7.84
17	B_u	518	497	1.08
18	B_u	133	128	16.40

Atom	x (Å)	y (Å)
C1	-0.342	0.584
C2	0.342	-0.584
C3	0.342	1.862
C4	-0.342	-1.862
N5	0.882	2.904
N6	-0.882	-2.904
H7	-1.437	0.606
H8	1.437	-0.606

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3540	1.4498	2.4458	2.6230	3.5290	1.0952	2.1410
C2	1.3540		2.4458	1.4498	3.5290	2.6230	2.1410	1.0952
C3	1.4498	2.4458		3.7861	1.1732	4.9202	2.1785	2.6996
C4	2.4458	1.4498	3.7861		4.9202	1.1732	2.6996	2.1785
N5	2.6230	3.5290	1.1732	4.9202		6.0692	3.2650	3.5530
N6	3.5290	2.6230	4.9202	1.1732	6.0692		3.5530	3.2650
H7	1.0952	2.1410	2.1785	2.6996	3.2650	3.5530		3.1198
H8	2.1410	1.0952	2.6996	2.1785	3.5530	3.2650	3.1198

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.419	C1	C2	H8	121.531
C1	C3	N5	179.191	C2	C1	C3	121.419
C2	C1	H7	121.531	C2	C4	N6	179.191
C3	C1	H7	117.050	C4	C2	H8	117.050

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: QCISD/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: QCISD/cc-pVDZ

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)