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	hartrees
Energy at 0K	-262.920035
Energy at 298.15K	-262.921152
HF Energy	-262.598753
Nuclear repulsion energy	162.049147

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3215	3215	0.00
2	A_g	2265	2265	0.00
3	A_g	1671	1671	0.00
4	A_g	1338	1338	0.00
5	A_g	1030	1030	0.00
6	A_g	537	537	0.00
7	A_g	257	257	0.00
8	A_u	982	982	55.78
9	A_u	558	558	2.74
10	A_u	127	127	14.78
11	B_g	861	861	0.00
12	B_g	387	387	0.00
13	B_u	3221	3221	4.07
14	B_u	2281	2281	0.47
15	B_u	1311	1311	2.07
16	B_u	1025	1025	7.55
17	B_u	540	540	0.89
18	B_u	138	138	17.66

Atom	x (Å)	y (Å)
C1	-0.336	0.583
C2	0.336	-0.583
C3	0.336	1.840
C4	-0.336	-1.840
N5	0.867	2.874
N6	-0.867	-2.874
H7	-1.419	0.604
H8	1.419	-0.604

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3452	1.4249	2.4225	2.5878	3.4978	1.0840	2.1185
C2	1.3452		2.4225	1.4249	3.4978	2.5878	2.1185	1.0840
C3	1.4249	2.4225		3.7401	1.1630	4.8650	2.1467	2.6728
C4	2.4225	1.4249	3.7401		4.8650	1.1630	2.6728	2.1467
N5	2.5878	3.4978	1.1630	4.8650		6.0044	3.2222	3.5217
N6	3.4978	2.5878	4.8650	1.1630	6.0044		3.5217	3.2222
H7	1.0840	2.1185	2.1467	2.6728	3.2222	3.5217		3.0848
H8	2.1185	1.0840	2.6728	2.1467	3.5217	3.2222	3.0848

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.955	C1	C2	H8	121.034
C1	C3	N5	179.053	C2	C1	C3	121.955
C2	C1	H7	121.034	C2	C4	N6	179.053
C3	C1	H7	117.011	C4	C2	H8	117.011

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: B2PLYP=FULL/6-311G*

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: B2PLYP=FULL/6-311G*

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)