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	hartrees
Energy at 0K	-262.573198
Energy at 298.15K	-262.574306
HF Energy	-261.582665
Nuclear repulsion energy	162.390476

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3232	3093	0.00
2	A_g	2361	2259	0.00
3	A_g	1718	1644	0.00
4	A_g	1341	1283	0.00
5	A_g	1033	988	0.00
6	A_g	535	512	0.00
7	A_g	253	242	0.00
8	A_u	995	953	45.71
9	A_u	546	523	3.01
10	A_u	127	122	17.35
11	B_g	872	835	0.00
12	B_g	374	358	0.00
13	B_u	3235	3096	8.22
14	B_u	2370	2268	0.14
15	B_u	1303	1247	0.77
16	B_u	1023	979	7.62
17	B_u	531	509	0.82
18	B_u	136	130	20.94

Atom	x (Å)	y (Å)
C1	-0.338	0.576
C2	0.338	-0.576
C3	0.338	1.841
C4	-0.338	-1.841
N5	0.866	2.867
N6	-0.866	-2.867
H7	-1.419	0.597
H8	1.419	-0.597

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3363	1.4347	2.4172	2.5885	3.4836	1.0806	2.1127
C2	1.3363		2.4172	1.4347	3.4836	2.5885	2.1127	1.0806
C3	1.4347	2.4172		3.7439	1.1539	4.8600	2.1531	2.6667
C4	2.4172	1.4347	3.7439		4.8600	1.1539	2.6667	2.1531
N5	2.5885	3.4836	1.1539	4.8600		5.9904	3.2211	3.5079
N6	3.4836	2.5885	4.8600	1.1539	5.9904		3.5079	3.2211
H7	1.0806	2.1127	2.1531	2.6667	3.2211	3.5079		3.0785
H8	2.1127	1.0806	2.6667	2.1531	3.5079	3.2211	3.0785

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.423	C1	C2	H8	121.532
C1	C3	N5	179.069	C2	C1	C3	121.423
C2	C1	H7	121.532	C2	C4	N6	179.069
C3	C1	H7	117.045	C4	C2	H8	117.045

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: CCD/aug-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: CCD/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)