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	hartrees
Energy at 0K	-262.326556
Energy at 298.15K	-262.327578
HF Energy	-261.489038
Nuclear repulsion energy	161.082645

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3233	3079	0.00
2	A_g	2336	2224	0.00
3	A_g	1716	1634	0.00
4	A_g	1353	1289	0.00
5	A_g	1039	989	0.00
6	A_g	532	507	0.00
7	A_g	250	238	0.00
8	A_u	985	938	51.90
9	A_u	530	505	3.46
10	A_u	125	119	16.24
11	B_g	853	812	0.00
12	B_g	364	346	0.00
13	B_u	3235	3081	4.20
14	B_u	2343	2231	0.48
15	B_u	1322	1259	1.28
16	B_u	1024	975	7.17
17	B_u	525	500	0.81
18	B_u	135	128	18.70

Atom	x (Å)	y (Å)
C1	-0.341	0.580
C2	0.341	-0.580
C3	0.341	1.850
C4	-0.341	-1.850
N5	0.881	2.887
N6	-0.881	-2.887
H7	-1.429	0.603
H8	1.429	-0.603

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3460	1.4413	2.4302	2.6107	3.5094	1.0878	2.1285
C2	1.3460		2.4302	1.4413	3.5094	2.6107	2.1285	1.0878
C3	1.4413	2.4302		3.7623	1.1694	4.8924	2.1649	2.6830
C4	2.4302	1.4413	3.7623		4.8924	1.1694	2.6830	2.1649
N5	2.6107	3.5094	1.1694	4.8924		6.0375	3.2484	3.5329
N6	3.5094	2.6107	4.8924	1.1694	6.0375		3.5329	3.2484
H7	1.0878	2.1285	2.1649	2.6830	3.2484	3.5329		3.1010
H8	2.1285	1.0878	2.6830	2.1649	3.5329	3.2484	3.1010

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.318	C1	C2	H8	121.624
C1	C3	N5	179.237	C2	C1	C3	121.318
C2	C1	H7	121.624	C2	C4	N6	179.237
C3	C1	H7	117.058	C4	C2	H8	117.058

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

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

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)