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	hartrees
Energy at 0K	-262.458263
Energy at 298.15K	-262.459328
HF Energy	-261.508206
Nuclear repulsion energy	161.546135

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3250	3070	0.00
2	A_g	2181	2060	0.00
3	A_g	1655	1564	0.00
4	A_g	1328	1254	0.00
5	A_g	1023	966	0.00
6	A_g	530	501	0.00
7	A_g	248	234	0.00
8	A_u	999	944	41.63
9	A_u	549	519	3.53
10	A_u	126	119	15.94
11	B_g	864	816	0.00
12	B_g	379	358	0.00
13	B_u	3255	3074	10.72
14	B_u	2198	2076	12.07
15	B_u	1290	1219	1.15
16	B_u	1023	967	3.62
17	B_u	522	493	0.63
18	B_u	131	124	18.61

Atom	x (Å)	y (Å)
C1	-0.338	0.582
C2	0.338	-0.582
C3	0.338	1.835
C4	-0.338	-1.835
N5	0.884	2.877
N6	-0.884	-2.877
H7	-1.422	0.598
H8	1.422	-0.598

	C1	C2	C3	C4	N5	N6	H7	H8
C1		1.3469	1.4231	2.4171	2.5998	3.5024	1.0837	2.1188
C2	1.3469		2.4171	1.4231	3.5024	2.5998	2.1188	1.0837
C3	1.4231	2.4171		3.7311	1.1767	4.8677	2.1511	2.6627
C4	2.4171	1.4231	3.7311		4.8677	1.1767	2.6627	2.1511
N5	2.5998	3.5024	1.1767	4.8677		6.0197	3.2423	3.5161
N6	3.5024	2.5998	4.8677	1.1767	6.0197		3.5161	3.2423
H7	1.0837	2.1188	2.1511	2.6627	3.2423	3.5161		3.0844
H8	2.1188	1.0837	2.6627	2.1511	3.5161	3.2423	3.0844

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	121.498	C1	C2	H8	120.935
C1	C3	N5	179.270	C2	C1	C3	121.498
C2	C1	H7	120.935	C2	C4	N6	179.270
C3	C1	H7	117.567	C4	C2	H8	117.567

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

All results from a given calculation for C₄H₂N₂ (Fumaronitrile)