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	hartrees
Energy at 0K	-264.216869
Energy at 298.15K	-264.220635
HF Energy	-264.216869
Nuclear repulsion energy	178.814220

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	2999	2960	0.00
2	A_g	2282	2252	0.00
3	A_g	1440	1421	0.00
4	A_g	1341	1323	0.00
5	A_g	988	975	0.00
6	A_g	946	934	0.00
7	A_g	505	498	0.00
8	A_g	214	212	0.00
9	A_u	3054	3014	1.08
10	A_u	1183	1168	0.00
11	A_u	753	743	2.39
12	A_u	385	380	0.10
13	A_u	71	70	22.32
14	B_g	3034	2995	0.00
15	B_g	1286	1269	0.00
16	B_g	1008	995	0.00
17	B_g	348	344	0.00
18	B_u	3009	2970	3.51
19	B_u	2284	2254	9.78
20	B_u	1448	1429	14.70
21	B_u	1263	1246	2.91
22	B_u	917	905	2.17
23	B_u	517	510	1.23
24	B_u	126	124	22.93

Atom	x (Å)	y (Å)	z (Å)
C1	0.425	0.649	0.000
C2	-0.425	-0.649	0.000
C3	-0.425	1.835	0.000
C4	0.425	-1.835	0.000
N5	1.125	-2.758	0.000
N6	-1.125	2.758	0.000
H7	1.074	0.672	0.882
H8	1.074	0.672	-0.882
H9	-1.074	-0.672	0.882
H10	-1.074	-0.672	-0.882

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		1.5518	1.4590	2.4837	3.4781	2.6173	1.0948	1.0948	2.1838	2.1838
C2	1.5518		2.4837	1.4590	2.6173	3.4781	2.1838	2.1838	1.0948	1.0948
C3	1.4590	2.4837		3.7666	4.8471	1.1585	2.0921	2.0921	2.7350	2.7350
C4	2.4837	1.4590	3.7666		1.1585	4.8471	2.7350	2.7350	2.0921	2.0921
N5	3.4781	2.6173	4.8471	1.1585		5.9571	3.5415	3.5415	3.1567	3.1567
N6	2.6173	3.4781	1.1585	4.8471	5.9571		3.1567	3.1567	3.5415	3.5415
H7	1.0948	2.1838	2.0921	2.7350	3.5415	3.1567		1.7631	2.5335	3.0866
H8	1.0948	2.1838	2.0921	2.7350	3.5415	3.1567	1.7631		3.0866	2.5335
H9	2.1838	1.0948	2.7350	2.0921	3.1567	3.5415	2.5335	3.0866		1.7631
H10	2.1838	1.0948	2.7350	2.0921	3.1567	3.5415	3.0866	2.5335	1.7631

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	111.161	C1	C2	H9	110.218
C1	C2	H10	110.218	C1	C3	N6	177.857
C2	C1	C3	111.161	C2	C1	H7	110.218
C2	C1	H8	110.218	C2	C4	N5	177.857
C3	C1	H7	108.971	C3	C1	H8	108.971
C4	C2	H9	108.971	C4	C2	H10	108.971
H7	C1	H8	107.204	H9	C2	H10	107.204

All results from a given calculation for C₄H₄N₂ (Succinonitrile)

using model chemistry: B97D3/6-311+G(3df,2p)

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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Number	Element	Mulliken
1	C	0.032
2	C	0.032
3	C	0.608
4	C	0.608
5	N	-0.977
6	N	-0.977
7	H	0.169
8	H	0.169
9	H	0.169
10	H	0.169

	x	y	z
x	8.039	-2.373	0.000
y	-2.373	11.352	0.000
z	0.000	0.000	6.305

<r²>	210.030
(<r²>)^1/2	14.492

All results from a given calculation for C4H4N2 (Succinonitrile)

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₄H₄N₂ (Succinonitrile)