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	hartrees
Energy at 0K	-262.713035
Energy at 298.15K	-262.714116
HF Energy	-261.577782
Nuclear repulsion energy	162.291208

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	3230	3094
2	A_g	2288	2192
3	A_g	1677	1607
4	A_g	1324	1269
5	A_g	1017	975
6	A_g	524	502
7	A_g	244	234
8	A_u	1000	958
9	A_u	553	530
10	A_u	129	123
11	B_g	893	856
12	B_g	383	367
13	B_u	3231	3095
14	B_u	2299	2203
15	B_u	1292	1238
16	B_u	1020	977
17	B_u	514	493
18	B_u	131	125

Atom	x (Å)	y (Å)
C1	-0.336	0.580
C2	0.336	-0.580
C3	0.336	1.837
C4	-0.336	-1.837
N5	0.864	2.872
N6	-0.864	-2.872
H7	-1.413	0.598
H8	1.413	-0.598

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3409	1.4260	2.4175	2.5869	3.4919	1.0769	2.1092
C2	1.3409		2.4175	1.4260	3.4919	2.5869	2.1092	1.0769
C3	1.4260	2.4175		3.7359	1.1610	4.8597	2.1438	2.6631
C4	2.4175	1.4260	3.7359		4.8597	1.1610	2.6631	2.1438
N5	2.5869	3.4919	1.1610	4.8597		5.9977	3.2175	3.5133
N6	3.4919	2.5869	4.8597	1.1610	5.9977		3.5133	3.2175
H7	1.0769	2.1092	2.1438	2.6631	3.2175	3.5133		3.0690
H8	2.1092	1.0769	2.6631	2.1438	3.5133	3.2175	3.0690

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.755	C1	C2	H8	121.075
C1	C3	N5	178.871	C2	C1	C3	121.755
C2	C1	H7	121.075	C2	C4	N6	178.871
C3	C1	H7	117.170	C4	C2	H8	117.170

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: CCSD(T)=FULL/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: CCSD(T)=FULL/cc-pVTZ

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)