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	hartrees
Energy at 0K	-262.862807
Energy at 298.15K	-262.863874
HF Energy	-262.569519
Nuclear repulsion energy	161.124302

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3221	3098	0.00
2	A_g	2244	2158	0.00
3	A_g	1663	1599	0.00
4	A_g	1318	1268	0.00
5	A_g	1023	984	0.00
6	A_g	529	509	0.00
7	A_g	249	240	0.00
8	A_u	975	938	46.96
9	A_u	541	521	2.05
10	A_u	126	121	16.34
11	B_g	858	825	0.00
12	B_g	369	355	0.00
13	B_u	3226	3103	7.76
14	B_u	2260	2174	0.14
15	B_u	1285	1235	1.14
16	B_u	1024	984	7.40
17	B_u	525	505	0.94
18	B_u	134	129	19.24

Atom	x (Å)	y (Å)
C1	-0.338	0.585
C2	0.338	-0.585
C3	0.338	1.847
C4	-0.338	-1.847
N5	0.871	2.891
N6	-0.871	-2.891
H7	-1.428	0.607
H8	1.428	-0.607

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3517	1.4316	2.4320	2.6037	3.5168	1.0899	2.1308
C2	1.3517		2.4320	1.4316	3.5168	2.6037	2.1308	1.0899
C3	1.4316	2.4320		3.7551	1.1723	4.8898	2.1578	2.6849
C4	2.4320	1.4316	3.7551		4.8898	1.1723	2.6849	2.1578
N5	2.6037	3.5168	1.1723	4.8898		6.0388	3.2407	3.5421
N6	3.5168	2.6037	4.8898	1.1723	6.0388		3.5421	3.2407
H7	1.0899	2.1308	2.1578	2.6849	3.2407	3.5421		3.1031
H8	2.1308	1.0899	2.6849	2.1578	3.5421	3.2407	3.1031

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.777	C1	C2	H8	121.176
C1	C3	N5	178.835	C2	C1	C3	121.777
C2	C1	H7	121.176	C2	C4	N6	178.835
C3	C1	H7	117.048	C4	C2	H8	117.048

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: B2PLYP=FULL/aug-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: B2PLYP=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)