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	hartrees
Energy at 0K	-262.385160
Energy at 298.15K	-262.386187
HF Energy	-261.518677
Nuclear repulsion energy	160.240751

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3226	3125	0.00
2	A_g	2296	2224	0.00
3	A_g	1691	1638	0.00
4	A_g	1324	1283	0.00
5	A_g	1017	985	0.00
6	A_g	523	506	0.00
7	A_g	246	238	0.00
8	A_u	974	944	44.60
9	A_u	531	515	2.23
10	A_u	125	121	16.45
11	B_g	840	813	0.00
12	B_g	363	352	0.00
13	B_u	3229	3128	6.36
14	B_u	2303	2231	0.40
15	B_u	1288	1248	0.69
16	B_u	1009	977	6.98
17	B_u	517	500	1.03
18	B_u	132	128	19.77

Atom	x (Å)	y (Å)
C1	-0.343	0.584
C2	0.343	-0.584
C3	0.343	1.861
C4	-0.343	-1.861
N5	0.881	2.904
N6	-0.881	-2.904
H7	-1.437	0.606
H8	1.437	-0.606

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3543	1.4507	2.4450	2.6239	3.5290	1.0934	2.1411
C2	1.3543		2.4450	1.4507	3.5290	2.6239	2.1411	1.0934
C3	1.4507	2.4450		3.7857	1.1733	4.9204	2.1779	2.6992
C4	2.4450	1.4507	3.7857		4.9204	1.1733	2.6992	2.1779
N5	2.6239	3.5290	1.1733	4.9204		6.0698	3.2637	3.5543
N6	3.5290	2.6239	4.9204	1.1733	6.0698		3.5543	3.2637
H7	1.0934	2.1411	2.1779	2.6992	3.2637	3.5543		3.1186
H8	2.1411	1.0934	2.6992	2.1779	3.5543	3.2637	3.1186

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.270	C1	C2	H8	121.672
C1	C3	N5	179.029	C2	C1	C3	121.270
C2	C1	H7	121.672	C2	C4	N6	179.029
C3	C1	H7	117.058	C4	C2	H8	117.058

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: QCISD/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)