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	hartrees
Energy at 0K	-262.570095
Energy at 298.15K	-262.571191
HF Energy	-261.579082
Nuclear repulsion energy	162.112892

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3232	3088	0.00
2	A_g	2334	2230	0.00
3	A_g	1706	1630	0.00
4	A_g	1338	1279	0.00
5	A_g	1027	981	0.00
6	A_g	532	508	0.00
7	A_g	252	241	0.00
8	A_u	999	954	48.63
9	A_u	546	522	2.43
10	A_u	127	121	16.23
11	B_g	870	831	0.00
12	B_g	374	358	0.00
13	B_u	3235	3091	7.24
14	B_u	2341	2237	0.34
15	B_u	1302	1244	0.92
16	B_u	1014	969	6.34
17	B_u	528	505	0.92
18	B_u	135	129	19.33

Atom	x (Å)	y (Å)
C1	-0.339	0.577
C2	0.339	-0.577
C3	0.339	1.843
C4	-0.339	-1.843
N5	0.868	2.873
N6	-0.868	-2.873
H7	-1.419	0.598
H8	1.419	-0.598

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3384	1.4359	2.4204	2.5932	3.4901	1.0803	2.1143
C2	1.3384		2.4204	1.4359	3.4901	2.5932	2.1143	1.0803
C3	1.4359	2.4204		3.7482	1.1574	4.8678	2.1538	2.6698
C4	2.4204	1.4359	3.7482		4.8678	1.1574	2.6698	2.1538
N5	2.5932	3.4901	1.1574	4.8678		6.0017	3.2251	3.5144
N6	3.4901	2.5932	4.8678	1.1574	6.0017		3.5144	3.2251
H7	1.0803	2.1143	2.1538	2.6698	3.2251	3.5144		3.0796
H8	2.1143	1.0803	2.6698	2.1538	3.5144	3.2251	3.0796

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.448	C1	C2	H8	121.527
C1	C3	N5	179.056	C2	C1	C3	121.448
C2	C1	H7	121.527	C2	C4	N6	179.056
C3	C1	H7	117.025	C4	C2	H8	117.025

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

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

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)