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	hartrees
Energy at 0K	-262.746559
Energy at 298.15K	-262.750777
Nuclear repulsion energy	180.426103

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3239	2929	0.00
2	A_g	2604	2355	0.00
3	A_g	1610	1456	0.00
4	A_g	1536	1389	0.00
5	A_g	1107	1001	0.00
6	A_g	1034	935	0.00
7	A_g	562	508	0.00
8	A_g	251	227	0.00
9	A_u	3296	2981	5.99
10	A_u	1332	1204	0.01
11	A_u	835	755	2.72
12	A_u	451	408	0.65
13	A_u	87	78	24.56
14	B_g	3276	2963	0.00
15	B_g	1443	1305	0.00
16	B_g	1146	1036	0.00
17	B_g	411	371	0.00
18	B_u	3245	2935	8.26
19	B_u	2605	2356	17.64
20	B_u	1618	1463	13.66
21	B_u	1420	1285	2.91
22	B_u	975	882	20.14
23	B_u	588	532	0.23
24	B_u	146	132	26.87

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.768	0.000
C2	0.000	-0.768	0.000
C3	-1.372	1.292	0.000
C4	1.372	-1.292	0.000
N5	2.432	-1.680	0.000
N6	-2.432	1.680	0.000
H7	0.514	1.149	0.873
H8	0.514	1.149	-0.873
H9	-0.514	-1.149	0.873
H10	-0.514	-1.149	-0.873

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		1.5369	1.4686	2.4754	3.4509	2.5972	1.0819	1.0819	2.1687	2.1687
C2	1.5369		2.4754	1.4686	2.5972	3.4509	2.1687	2.1687	1.0819	1.0819
C3	1.4686	2.4754		3.7692	4.8273	1.1287	2.0830	2.0830	2.7308	2.7308
C4	2.4754	1.4686	3.7692		1.1287	4.8273	2.7308	2.7308	2.0830	2.0830
N5	3.4509	2.5972	4.8273	1.1287		5.9115	3.5276	3.5276	3.1179	3.1179
N6	2.5972	3.4509	1.1287	4.8273	5.9115		3.1179	3.1179	3.5276	3.5276
H7	1.0819	2.1687	2.0830	2.7308	3.5276	3.1179		1.7454	2.5177	3.0636
H8	1.0819	2.1687	2.0830	2.7308	3.5276	3.1179	1.7454		3.0636	2.5177
H9	2.1687	1.0819	2.7308	2.0830	3.1179	3.5276	2.5177	3.0636		1.7454
H10	2.1687	1.0819	2.7308	2.0830	3.1179	3.5276	3.0636	2.5177	1.7454

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	110.879	C1	C2	H9	110.604
C1	C2	H10	110.604	C1	C3	N6	179.219
C2	C1	C3	110.879	C2	C1	H7	110.604
C2	C1	H8	110.604	C2	C4	N5	179.219
C3	C1	H7	108.560	C3	C1	H8	108.560
C4	C2	H9	108.560	C4	C2	H10	108.560
H7	C1	H8	107.534	H9	C2	H10	107.534

All results from a given calculation for C₄H₄N₂ (Succinonitrile)

using model chemistry: HF/6-311G*

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	ESP
1	C	-0.425	0.041	-0.085
2	C	-0.425	0.041	-0.062
3	C	0.165	0.315	0.326
4	C	0.165	0.315	0.319
5	N	-0.317	-0.467	-0.458
6	N	-0.317	-0.467	-0.460
7	H	0.289	0.056	0.107
8	H	0.289	0.056	0.107
9	H	0.289	0.056	0.102
10	H	0.289	0.056	0.102

	x	y	z
x	8.886	-1.897	0.000
y	-1.897	6.057	0.000
z	0.000	0.000	4.701

<r²>	208.173
(<r²>)^1/2	14.428

All results from a given calculation for C4H4N2 (Succinonitrile)

using model chemistry: HF/6-311G*

States and conformations

All results from a given calculation for C₄H₄N₂ (Succinonitrile)