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	hartrees
Energy at 0K	-262.374351
Energy at 298.15K	-262.375405
HF Energy	-261.519896
Nuclear repulsion energy	160.485885

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3231	3117	0.00
2	A_g	2325	2243	0.00
3	A_g	1704	1643	0.00
4	A_g	1329	1281	0.00
5	A_g	1024	987	0.00
6	A_g	527	508	0.00
7	A_g	248	239	0.00
8	A_u	979	944	45.01
9	A_u	536	517	2.28
10	A_u	126	121	16.43
11	B_g	849	819	0.00
12	B_g	367	354	0.00
13	B_u	3235	3120	6.12
14	B_u	2335	2252	0.64
15	B_u	1293	1247	0.61
16	B_u	1017	981	7.92
17	B_u	521	503	0.95
18	B_u	133	129	20.00

Atom	x (Å)	y (Å)
C1	-0.343	0.583
C2	0.343	-0.583
C3	0.343	1.860
C4	-0.343	-1.860
N5	0.879	2.900
N6	-0.879	-2.900
H7	-1.436	0.605
H8	1.436	-0.605

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3525	1.4493	2.4428	2.6193	3.5238	1.0931	2.1390
C2	1.3525		2.4428	1.4493	3.5238	2.6193	2.1390	1.0931
C3	1.4493	2.4428		3.7824	1.1701	4.9140	2.1764	2.6967
C4	2.4428	1.4493	3.7824		4.9140	1.1701	2.6967	2.1764
N5	2.6193	3.5238	1.1701	4.9140		6.0602	3.2593	3.5491
N6	3.5238	2.6193	4.9140	1.1701	6.0602		3.5491	3.2593
H7	1.0931	2.1390	2.1764	2.6967	3.2593	3.5491		3.1162
H8	2.1390	1.0931	2.6967	2.1764	3.5491	3.2593	3.1162

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.311	C1	C2	H8	121.636
C1	C3	N5	179.056	C2	C1	C3	121.311
C2	C1	H7	121.636	C2	C4	N6	179.056
C3	C1	H7	117.053	C4	C2	H8	117.053

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

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

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)