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	hartrees
Energy at 0K	-262.342116
Energy at 298.15K	-262.343118
HF Energy	-261.500967
Nuclear repulsion energy	161.330105

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3281	3091	0.00
2	A_g	2357	2221	0.00
3	A_g	1727	1627	0.00
4	A_g	1360	1281	0.00
5	A_g	1043	983	0.00
6	A_g	535	504	0.00
7	A_g	250	236	0.00
8	A_u	987	930	54.65
9	A_u	499	471	1.68
10	A_u	122	115	15.68
11	B_g	846	797	0.00
12	B_g	348	328	0.00
13	B_u	3284	3094	5.27
14	B_u	2367	2230	0.51
15	B_u	1327	1251	0.32
16	B_u	1029	969	8.55
17	B_u	525	495	1.08
18	B_u	135	127	19.11

Atom	x (Å)	y (Å)
C1	-0.341	0.580
C2	0.341	-0.580
C3	0.341	1.849
C4	-0.341	-1.849
N5	0.878	2.884
N6	-0.878	-2.884
H7	-1.422	0.603
H8	1.422	-0.603

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3448	1.4406	2.4286	2.6070	3.5055	1.0817	2.1228
C2	1.3448		2.4286	1.4406	3.5055	2.6070	2.1228	1.0817
C3	1.4406	2.4286		3.7601	1.1665	4.8877	2.1588	2.6797
C4	2.4286	1.4406	3.7601		4.8877	1.1665	2.6797	2.1588
N5	2.6070	3.5055	1.1665	4.8877		6.0301	3.2396	3.5296
N6	3.5055	2.6070	4.8877	1.1665	6.0301		3.5296	3.2396
H7	1.0817	2.1228	2.1588	2.6797	3.2396	3.5296		3.0893
H8	2.1228	1.0817	2.6797	2.1588	3.5296	3.2396	3.0893

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.326	C1	C2	H8	121.675
C1	C3	N5	179.185	C2	C1	C3	121.326
C2	C1	H7	121.675	C2	C4	N6	179.185
C3	C1	H7	116.999	C4	C2	H8	116.999

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: CCD/6-31+G**

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: CCD/6-31+G**

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)