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	hartrees
Energy at 0K	-262.945694
Energy at 298.15K	-262.946792
HF Energy	-262.624514
Nuclear repulsion energy	162.370727

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3214	3067	0.00
2	A_g	2272	2168	0.00
3	A_g	1668	1592	0.00
4	A_g	1338	1276	0.00
5	A_g	1031	984	0.00
6	A_g	538	514	0.00
7	A_g	255	243	0.00
8	A_u	983	938	52.79
9	A_u	543	518	2.06
10	A_u	125	119	15.80
11	B_g	865	825	0.00
12	B_g	374	356	0.00
13	B_u	3220	3073	6.84
14	B_u	2288	2183	0.13
15	B_u	1308	1248	1.35
16	B_u	1023	977	7.37
17	B_u	538	513	1.06
18	B_u	136	130	18.10

Atom	x (Å)	y (Å)
C1	-0.335	0.581
C2	0.335	-0.581
C3	0.335	1.836
C4	-0.335	-1.836
N5	0.865	2.868
N6	-0.865	-2.868
H7	-1.417	0.603
H8	1.417	-0.603

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3415	1.4227	2.4169	2.5834	3.4899	1.0820	2.1148
C2	1.3415		2.4169	1.4227	3.4899	2.5834	2.1148	1.0820
C3	1.4227	2.4169		3.7325	1.1607	4.8551	2.1423	2.6683
C4	2.4169	1.4227	3.7325		4.8551	1.1607	2.6683	2.1423
N5	2.5834	3.4899	1.1607	4.8551		5.9923	3.2156	3.5152
N6	3.4899	2.5834	4.8551	1.1607	5.9923		3.5152	3.2156
H7	1.0820	2.1148	2.1423	2.6683	3.2156	3.5152		3.0800
H8	2.1148	1.0820	2.6683	2.1423	3.5152	3.2156	3.0800

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.913	C1	C2	H8	121.158
C1	C3	N5	179.078	C2	C1	C3	121.913
C2	C1	H7	121.158	C2	C4	N6	179.078
C3	C1	H7	116.929	C4	C2	H8	116.929

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: B2PLYP=FULL/TZVP

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/TZVP

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)