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	hartrees
Energy at 0K	-262.789913
Energy at 298.15K	-262.794118
HF Energy	-262.789913
Nuclear repulsion energy	180.664400

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3214	2913	0.00
2	A_g	2596	2353	0.00
3	A_g	1598	1448	0.00
4	A_g	1523	1380	0.00
5	A_g	1099	996	0.00
6	A_g	1027	931	0.00
7	A_g	561	508	0.00
8	A_g	249	225	0.00
9	A_u	3272	2966	2.02
10	A_u	1316	1193	0.02
11	A_u	833	755	2.64
12	A_u	447	405	1.34
13	A_u	86	78	26.12
14	B_g	3251	2947	0.00
15	B_g	1427	1293	0.00
16	B_g	1140	1033	0.00
17	B_g	408	370	0.00
18	B_u	3222	2920	3.88
19	B_u	2597	2354	22.74
20	B_u	1607	1456	13.29
21	B_u	1409	1277	5.53
22	B_u	969	878	16.65
23	B_u	587	532	0.18
24	B_u	145	131	28.53

Atom	x (Å)	y (Å)	z (Å)
C1	0.426	0.641	0.000
C2	-0.426	-0.641	0.000
C3	-0.426	1.834	0.000
C4	0.426	-1.834	0.000
N5	1.098	-2.731	0.000
N6	-1.098	2.731	0.000
H7	1.064	0.672	0.872
H8	1.064	0.672	-0.872
H9	-1.064	-0.672	0.872
H10	-1.064	-0.672	-0.872

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		1.5387	1.4653	2.4748	3.4382	2.5862	1.0812	1.0812	2.1688	2.1688
C2	1.5387		2.4748	1.4653	2.5862	3.4382	2.1688	2.1688	1.0812	1.0812
C3	1.4653	2.4748		3.7651	4.8122	1.1211	2.0806	2.0806	2.7291	2.7291
C4	2.4748	1.4653	3.7651		1.1211	4.8122	2.7291	2.7291	2.0806	2.0806
N5	3.4382	2.5862	4.8122	1.1211		5.8866	3.5132	3.5132	3.1102	3.1102
N6	2.5862	3.4382	1.1211	4.8122	5.8866		3.1102	3.1102	3.5132	3.5132
H7	1.0812	2.1688	2.0806	2.7291	3.5132	3.1102		1.7437	2.5175	3.0624
H8	1.0812	2.1688	2.0806	2.7291	3.5132	3.1102	1.7437		3.0624	2.5175
H9	2.1688	1.0812	2.7291	2.0806	3.1102	3.5132	2.5175	3.0624		1.7437
H10	2.1688	1.0812	2.7291	2.0806	3.1102	3.5132	3.0624	2.5175	1.7437

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	110.917	C1	C2	H9	110.537
C1	C2	H10	110.537	C1	C3	N6	178.653
C2	C1	C3	110.917	C2	C1	H7	110.537
C2	C1	H8	110.537	C2	C4	N5	178.653
C3	C1	H7	108.637	C3	C1	H8	108.637
C4	C2	H9	108.637	C4	C2	H10	108.637
H7	C1	H8	107.477	H9	C2	H10	107.477

All results from a given calculation for C₄H₄N₂ (Succinonitrile)

using model chemistry: HF/Def2TZVPP

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	0.091
2	C	0.091
3	C	-0.205
4	C	-0.205
5	N	-0.106
6	N	-0.106
7	H	0.110
8	H	0.110
9	H	0.110
10	H	0.110

	x	y	z
x	6.857	-1.995	0.000
y	-1.995	9.473	0.000
z	0.000	0.000	5.376

<r²>	207.819
(<r²>)^1/2	14.416

All results from a given calculation for C4H4N2 (Succinonitrile)

using model chemistry: HF/Def2TZVPP

States and conformations

All results from a given calculation for C₄H₄N₂ (Succinonitrile)