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	hartrees
Energy at 0K	-262.760440
Energy at 298.15K	-262.761534
HF Energy	-261.576814
Nuclear repulsion energy	162.044146

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	3210	3112
2	A_g	2173	2106
3	A_g	1662	1611
4	A_g	1320	1280
5	A_g	1020	989
6	A_g	526	509
7	A_g	248	241
8	A_u	1018	987
9	A_u	546	530
10	A_u	132	128
11	B_g	903	875
12	B_g	375	364
13	B_u	3209	3111
14	B_u	2191	2124
15	B_u	1288	1249
16	B_u	1020	989
17	B_u	519	503
18	B_u	131	127

Atom	x (Å)	y (Å)
C1	-0.336	0.581
C2	0.336	-0.581
C3	0.336	1.833
C4	-0.336	-1.833
N5	0.870	2.874
N6	-0.870	-2.874
H7	-1.416	0.596
H8	1.416	-0.596

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3429	1.4211	2.4146	2.5906	3.4963	1.0799	2.1109
C2	1.3429		2.4146	1.4211	3.4963	2.5906	2.1109	1.0799
C3	1.4211	2.4146		3.7278	1.1696	4.8594	2.1447	2.6588
C4	2.4146	1.4211	3.7278		4.8594	1.1696	2.6588	2.1447
N5	2.5906	3.4963	1.1696	4.8594		6.0057	3.2268	3.5131
N6	3.4963	2.5906	4.8594	1.1696	6.0057		3.5131	3.2268
H7	1.0799	2.1109	2.1447	2.6588	3.2268	3.5131		3.0726
H8	2.1109	1.0799	2.6588	2.1447	3.5131	3.2268	3.0726

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.735	C1	C2	H8	120.834
C1	C3	N5	178.918	C2	C1	C3	121.735
C2	C1	H7	120.834	C2	C4	N6	178.918
C3	C1	H7	117.431	C4	C2	H8	117.431

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: MP4=FULL/aug-cc-pVTZ

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: MP4=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)