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	hartrees
Energy at 0K	-262.337862
Energy at 298.15K	-262.338919
HF Energy	-261.510399
Nuclear repulsion energy	160.527243

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3240	3100	0.00
2	A_g	2347	2245	0.00
3	A_g	1715	1641	0.00
4	A_g	1325	1267	0.00
5	A_g	1028	983	0.00
6	A_g	530	507	0.00
7	A_g	250	239	0.00
8	A_u	983	941	46.02
9	A_u	538	515	2.07
10	A_u	125	120	13.91
11	B_g	848	811	0.00
12	B_g	370	354	0.00
13	B_u	3243	3103	5.90
14	B_u	2356	2254	2.10
15	B_u	1286	1230	0.45
16	B_u	1023	979	8.59
17	B_u	522	500	1.04
18	B_u	134	129	16.66

Atom	x (Å)	y (Å)
C1	-0.342	0.583
C2	0.342	-0.583
C3	0.342	1.860
C4	-0.342	-1.860
N5	0.880	2.899
N6	-0.880	-2.899
H7	-1.437	0.605
H8	1.437	-0.605

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3519	1.4484	2.4431	2.6180	3.5231	1.0949	2.1386
C2	1.3519		2.4431	1.4484	3.5231	2.6180	2.1386	1.0949
C3	1.4484	2.4431		3.7823	1.1697	4.9129	2.1768	2.6968
C4	2.4431	1.4484	3.7823		4.9129	1.1697	2.6968	2.1768
N5	2.6180	3.5231	1.1697	4.9129		6.0584	3.2600	3.5472
N6	3.5231	2.6180	4.9129	1.1697	6.0584		3.5472	3.2600
H7	1.0949	2.1386	2.1768	2.6968	3.2600	3.5472		3.1172
H8	2.1386	1.0949	2.6968	2.1768	3.5472	3.2600	3.1172

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.453	C1	C2	H8	121.505
C1	C3	N5	179.213	C2	C1	C3	121.453
C2	C1	H7	121.505	C2	C4	N6	179.213
C3	C1	H7	117.042	C4	C2	H8	117.042

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: CCD/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/cc-pVDZ

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)