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	hartrees
Energy at 0K	-262.329503
Energy at 298.15K	-262.330559
HF Energy	-261.494201
Nuclear repulsion energy	161.443999

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3286	3081	0.00
2	A_g	2369	2221	0.00
3	A_g	1735	1627	0.00
4	A_g	1363	1278	0.00
5	A_g	1046	981	0.00
6	A_g	536	502	0.00
7	A_g	252	236	0.00
8	A_u	997	935	47.62
9	A_u	530	497	3.58
10	A_u	126	118	16.20
11	B_g	855	801	0.00
12	B_g	365	343	0.00
13	B_u	3288	3083	4.24
14	B_u	2378	2230	1.37
15	B_u	1329	1247	0.35
16	B_u	1033	968	7.63
17	B_u	529	496	0.80
18	B_u	136	127	18.79

Atom	x (Å)	y (Å)
C1	-0.340	0.579
C2	0.340	-0.579
C3	0.340	1.848
C4	-0.340	-1.848
N5	0.877	2.883
N6	-0.877	-2.883
H7	-1.421	0.601
H8	1.421	-0.601

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3433	1.4396	2.4269	2.6053	3.5031	1.0812	2.1201
C2	1.3433		2.4269	1.4396	3.5031	2.6053	2.1201	1.0812
C3	1.4396	2.4269		3.7576	1.1658	4.8845	2.1580	2.6767
C4	2.4269	1.4396	3.7576		4.8845	1.1658	2.6767	2.1580
N5	2.6053	3.5031	1.1658	4.8845		6.0261	3.2385	3.5257
N6	3.5031	2.6053	4.8845	1.1658	6.0261		3.5257	3.2385
H7	1.0812	2.1201	2.1580	2.6767	3.2385	3.5257		3.0860
H8	2.1201	1.0812	2.6767	2.1580	3.5257	3.2385	3.0860

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.366	C1	C2	H8	121.588
C1	C3	N5	179.223	C2	C1	C3	121.366
C2	C1	H7	121.588	C2	C4	N6	179.223
C3	C1	H7	117.046	C4	C2	H8	117.046

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: CCD/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: CCD/6-31G**

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)