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	hartrees
Energy at 0K	-264.197667
Energy at 298.15K	-264.201560
Nuclear repulsion energy	178.713052

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3079	2951	0.00
2	A_g	2383	2284	0.00
3	A_g	1473	1412	0.00
4	A_g	1388	1330	0.00
5	A_g	1039	996	0.00
6	A_g	978	937	0.00
7	A_g	518	496	0.00
8	A_g	224	215	0.00
9	A_u	3142	3011	0.22
10	A_u	1210	1160	0.12
11	A_u	771	739	4.62
12	A_u	410	393	0.09
13	A_u	80	77	20.89
14	B_g	3124	2994	0.00
15	B_g	1316	1261	0.00
16	B_g	1033	990	0.00
17	B_g	369	354	0.00
18	B_u	3088	2960	2.39
19	B_u	2384	2285	10.18
20	B_u	1478	1417	16.21
21	B_u	1290	1236	1.45
22	B_u	948	909	4.25
23	B_u	530	508	1.50
24	B_u	132	126	22.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.772	0.000
C2	0.000	-0.772	0.000
C3	-1.360	1.304	0.000
C4	1.360	-1.304	0.000
N5	2.447	-1.712	0.000
N6	-2.447	1.712	0.000
H7	0.528	1.150	0.881
H8	0.528	1.150	-0.881
H9	-0.528	-1.150	0.881
H10	-0.528	-1.150	-0.881

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		1.5439	1.4606	2.4817	3.4865	2.6210	1.0950	1.0950	2.1795	2.1795
C2	1.5439		2.4817	1.4606	2.6210	3.4865	2.1795	2.1795	1.0950	1.0950
C3	1.4606	2.4817		3.7684	4.8566	1.1604	2.0899	2.0899	2.7368	2.7368
C4	2.4817	1.4606	3.7684		1.1604	4.8566	2.7368	2.7368	2.0899	2.0899
N5	3.4865	2.6210	4.8566	1.1604		5.9721	3.5563	3.5563	3.1533	3.1533
N6	2.6210	3.4865	1.1604	4.8566	5.9721		3.1533	3.1533	3.5563	3.5563
H7	1.0950	2.1795	2.0899	2.7368	3.5563	3.1533		1.7626	2.5314	3.0846
H8	1.0950	2.1795	2.0899	2.7368	3.5563	3.1533	1.7626		3.0846	2.5314
H9	2.1795	1.0950	2.7368	2.0899	3.1533	3.5563	2.5314	3.0846		1.7626
H10	2.1795	1.0950	2.7368	2.0899	3.1533	3.5563	3.0846	2.5314	1.7626

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	111.353	C1	C2	H9	110.205
C1	C2	H10	110.205	C1	C3	N6	179.240
C2	C1	C3	111.353	C2	C1	H7	110.205
C2	C1	H8	110.205	C2	C4	N5	179.240
C3	C1	H7	108.887	C3	C1	H8	108.887
C4	C2	H9	108.887	C4	C2	H10	108.887
H7	C1	H8	107.197	H9	C2	H10	107.197

All results from a given calculation for C₄H₄N₂ (Succinonitrile)

using model chemistry: B3PW91/6-31G**

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	-0.305
2	C	-0.305
3	C	0.353
4	C	0.353
5	N	-0.470
6	N	-0.470
7	H	0.211
8	H	0.211
9	H	0.211
10	H	0.211

<r²>	209.919
(<r²>)^1/2	14.489

All results from a given calculation for C4H4N2 (Succinonitrile)

using model chemistry: B3PW91/6-31G**

States and conformations

All results from a given calculation for C₄H₄N₂ (Succinonitrile)