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	hartrees
Energy at 0K	-264.245537
Energy at 298.15K	-264.249422
Nuclear repulsion energy	176.897015

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3078	2958	0.00
2	A_g	2286	2197	0.00
3	A_g	1503	1444	0.00
4	A_g	1391	1337	0.00
5	A_g	1042	1002	0.00
6	A_g	970	932	0.00
7	A_g	510	490	0.00
8	A_g	228	219	0.00
9	A_u	3150	3028	7.05
10	A_u	1225	1178	0.16
11	A_u	788	757	4.19
12	A_u	405	389	1.78
13	A_u	77	74	21.68
14	B_g	3129	3007	0.00
15	B_g	1321	1270	0.00
16	B_g	1057	1016	0.00
17	B_g	368	354	0.00
18	B_u	3085	2965	8.32
19	B_u	2289	2200	10.41
20	B_u	1507	1449	29.79
21	B_u	1323	1272	2.31
22	B_u	938	901	10.25
23	B_u	528	508	6.62
24	B_u	134	129	19.48

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.780	0.000
C2	0.000	-0.780	0.000
C3	-1.372	1.313	0.000
C4	1.372	-1.313	0.000
N5	2.475	-1.733	0.000
N6	-2.475	1.733	0.000
H7	0.530	1.155	0.883
H8	0.530	1.155	-0.883
H9	-0.530	-1.155	0.883
H10	-0.530	-1.155	-0.883

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		1.5592	1.4719	2.5022	3.5265	2.6519	1.0966	1.0966	2.1919	2.1919
C2	1.5592		2.5022	1.4719	2.6519	3.5265	2.1919	2.1919	1.0966	1.0966
C3	1.4719	2.5022		3.7979	4.9064	1.1800	2.1032	2.1032	2.7531	2.7531
C4	2.5022	1.4719	3.7979		1.1800	4.9064	2.7531	2.7531	2.1032	2.1032
N5	3.5265	2.6519	4.9064	1.1800		6.0421	3.5918	3.5918	3.1849	3.1849
N6	2.6519	3.5265	1.1800	4.9064	6.0421		3.1849	3.1849	3.5918	3.5918
H7	1.0966	2.1919	2.1032	2.7531	3.5918	3.1849		1.7667	2.5419	3.0955
H8	1.0966	2.1919	2.1032	2.7531	3.5918	3.1849	1.7667		3.0955	2.5419
H9	2.1919	1.0966	2.7531	2.1032	3.1849	3.5918	2.5419	3.0955		1.7667
H10	2.1919	1.0966	2.7531	2.1032	3.1849	3.5918	3.0955	2.5419	1.7667

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	111.248	C1	C2	H9	110.019
C1	C2	H10	110.019	C1	C3	N6	179.598
C2	C1	C3	111.248	C2	C1	H7	110.019
C2	C1	H8	110.019	C2	C4	N5	179.598
C3	C1	H7	109.067	C3	C1	H8	109.067
C4	C2	H9	109.067	C4	C2	H10	109.067
H7	C1	H8	107.329	H9	C2	H10	107.329

All results from a given calculation for C₄H₄N₂ (Succinonitrile)

using model chemistry: B3LYP/LANL2DZ

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	-0.365
2	C	-0.365
3	C	-0.147
4	C	-0.147
5	N	-0.003
6	N	-0.003
7	H	0.257
8	H	0.257
9	H	0.257
10	H	0.257

	x	y	z
x	9.580	-2.364	0.000
y	-2.364	6.222	0.000
z	0.000	0.000	4.563

<r²>	214.576
(<r²>)^1/2	14.648

All results from a given calculation for C4H4N2 (Succinonitrile)

using model chemistry: B3LYP/LANL2DZ

States and conformations

All results from a given calculation for C₄H₄N₂ (Succinonitrile)