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	hartrees
Energy at 0K	-262.563985
Energy at 298.15K	-262.568176
Nuclear repulsion energy	179.628238

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3229	2915	0.00
2	A_g	2559	2310	0.00
3	A_g	1639	1479	0.00
4	A_g	1538	1389	0.00
5	A_g	1108	1001	0.00
6	A_g	1051	949	0.00
7	A_g	555	501	0.00
8	A_g	249	225	0.00
9	A_u	3292	2973	2.43
10	A_u	1356	1225	0.06
11	A_u	864	781	3.02
12	A_u	438	396	0.04
13	A_u	84	75	24.39
14	B_g	3271	2953	0.00
15	B_g	1452	1311	0.00
16	B_g	1180	1066	0.00
17	B_g	396	358	0.00
18	B_u	3236	2922	5.67
19	B_u	2560	2312	20.10
20	B_u	1641	1482	21.94
21	B_u	1464	1322	0.93
22	B_u	994	898	27.44
23	B_u	575	519	3.24
24	B_u	146	132	24.20

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.772	0.000
C2	0.000	-0.772	0.000
C3	-1.364	1.299	0.000
C4	1.364	-1.299	0.000
N5	2.437	-1.701	0.000
N6	-2.437	1.701	0.000
H7	0.522	1.144	0.872
H8	0.522	1.144	-0.872
H9	-0.522	-1.144	0.872
H10	-0.522	-1.144	-0.872

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		1.5434	1.4621	2.4795	3.4717	2.6081	1.0826	1.0826	2.1689	2.1689
C2	1.5434		2.4795	1.4621	2.6081	3.4717	2.1689	2.1689	1.0826	1.0826
C3	1.4621	2.4795		3.7669	4.8420	1.1461	2.0834	2.0834	2.7276	2.7276
C4	2.4795	1.4621	3.7669		1.1461	4.8420	2.7276	2.7276	2.0834	2.0834
N5	3.4717	2.6081	4.8420	1.1461		5.9437	3.5387	3.5387	3.1347	3.1347
N6	2.6081	3.4717	1.1461	4.8420	5.9437		3.1347	3.1347	3.5387	3.5387
H7	1.0826	2.1689	2.0834	2.7276	3.5387	3.1347		1.7441	2.5157	3.0611
H8	1.0826	2.1689	2.0834	2.7276	3.5387	3.1347	1.7441		3.0611	2.5157
H9	2.1689	1.0826	2.7276	2.0834	3.1347	3.5387	2.5157	3.0611		1.7441
H10	2.1689	1.0826	2.7276	2.0834	3.1347	3.5387	3.0611	2.5157	1.7441

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	111.153	C1	C2	H9	110.135
C1	C2	H10	110.135	C1	C3	N6	179.362
C2	C1	C3	111.153	C2	C1	H7	110.135
C2	C1	H8	110.135	C2	C4	N5	179.362
C3	C1	H7	109.003	C3	C1	H8	109.003
C4	C2	H9	109.003	C4	C2	H10	109.003
H7	C1	H8	107.320	H9	C2	H10	107.320

All results from a given calculation for C₄H₄N₂ (Succinonitrile)

using model chemistry: HF/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	CHELPG
1	C	-0.314	-0.035
2	C	-0.314	-0.035
3	C	0.115	0.396
4	C	0.115	0.396
5	N	-0.295	-0.501
6	N	-0.295	-0.501
7	H	0.247	0.070
8	H	0.247	0.070
9	H	0.247	0.070
10	H	0.247	0.070

	x	y	z
x	8.777	-2.072	0.000
y	-2.072	5.604	0.000
z	0.000	0.000	4.294

<r²>	209.865
(<r²>)^1/2	14.487

All results from a given calculation for C4H4N2 (Succinonitrile)

using model chemistry: HF/6-31G

States and conformations

All results from a given calculation for C₄H₄N₂ (Succinonitrile)