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	hartrees
Energy at 0K	-262.348419
Energy at 298.15K	-262.349458
HF Energy	-261.487307
Nuclear repulsion energy	161.084540

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3282	3067	0.00
2	A_g	2189	2045	0.00
3	A_g	1685	1574	0.00
4	A_g	1351	1263	0.00
5	A_g	1043	975	0.00
6	A_g	531	496	0.00
7	A_g	248	232	0.00
8	A_u	995	929	48.20
9	A_u	535	500	3.81
10	A_u	125	117	15.31
11	B_g	844	788	0.00
12	B_g	370	345	0.00
13	B_u	3286	3070	6.27
14	B_u	2206	2061	14.54
15	B_u	1319	1232	0.58
16	B_u	1034	966	3.84
17	B_u	523	488	0.73
18	B_u	134	125	17.70

Atom	x (Å)	y (Å)
C1	-0.339	0.583
C2	0.339	-0.583
C3	0.339	1.838
C4	-0.339	-1.838
N5	0.887	2.887
N6	-0.887	-2.887
H7	-1.420	0.598
H8	1.420	-0.598

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3488	1.4268	2.4209	2.6096	3.5124	1.0813	2.1191
C2	1.3488		2.4209	1.4268	3.5124	2.6096	2.1191	1.0813
C3	1.4268	2.4209		3.7382	1.1829	4.8811	2.1528	2.6651
C4	2.4209	1.4268	3.7382		4.8811	1.1829	2.6651	2.1528
N5	2.6096	3.5124	1.1829	4.8811		6.0394	3.2498	3.5251
N6	3.5124	2.6096	4.8811	1.1829	6.0394		3.5251	3.2498
H7	1.0813	2.1191	2.1528	2.6651	3.2498	3.5251		3.0823
H8	2.1191	1.0813	2.6651	2.1528	3.5251	3.2498	3.0823

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.408	C1	C2	H8	120.991
C1	C3	N5	179.177	C2	C1	C3	121.408
C2	C1	H7	120.991	C2	C4	N6	179.177
C3	C1	H7	117.601	C4	C2	H8	117.601

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: MP2=FULL/6-31G**

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: MP2=FULL/6-31G**

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)