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	hartrees
Energy at 0K	-262.526665
Energy at 298.15K	-262.530766
Nuclear repulsion energy	177.366285

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3002	2975	0.00
2	A_g	2263	2242	0.00
3	A_g	1479	1465	0.00
4	A_g	1349	1336	0.00
5	A_g	993	984	0.00
6	A_g	960	952	0.00
7	A_g	534	529	0.00
8	A_g	251	249	0.00
9	A_u	3062	3034	0.08
10	A_u	1241	1230	0.08
11	A_u	772	765	4.77
12	A_u	469	465	1.51
13	A_u	81	80	16.47
14	B_g	3040	3012	0.00
15	B_g	1323	1311	0.00
16	B_g	1033	1024	0.00
17	B_g	431	427	0.00
18	B_u	3012	2985	2.27
19	B_u	2265	2245	1.97
20	B_u	1479	1466	25.45
21	B_u	1295	1283	4.79
22	B_u	925	917	2.41
23	B_u	574	568	6.25
24	B_u	143	141	15.63

Atom	x (Å)	y (Å)	z (Å)
C1	0.429	0.656	0.000
C2	-0.429	-0.656	0.000
C3	-0.429	1.837	0.000
C4	0.429	-1.837	0.000
N5	1.124	-2.787	0.000
N6	-1.124	2.787	0.000
H7	1.079	0.669	0.894
H8	1.079	0.669	-0.894
H9	-1.079	-0.669	0.894
H10	-1.079	-0.669	-0.894

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		1.5670	1.4603	2.4927	3.5121	2.6375	1.1053	1.1053	2.1973	2.1973
C2	1.5670		2.4927	1.4603	2.6375	3.5121	2.1973	2.1973	1.1053	1.1053
C3	1.4603	2.4927		3.7731	4.8781	1.1772	2.1066	2.1066	2.7391	2.7391
C4	2.4927	1.4603	3.7731		1.1772	4.8781	2.7391	2.7391	2.1066	2.1066
N5	3.5121	2.6375	4.8781	1.1772		6.0106	3.5701	3.5701	3.1843	3.1843
N6	2.6375	3.5121	1.1772	4.8781	6.0106		3.1843	3.1843	3.5701	3.5701
H7	1.1053	2.1973	2.1066	2.7391	3.5701	3.1843		1.7879	2.5392	3.1056
H8	1.1053	2.1973	2.1066	2.7391	3.5701	3.1843	1.7879		3.1056	2.5392
H9	2.1973	1.1053	2.7391	2.1066	3.1843	3.5701	2.5392	3.1056		1.7879
H10	2.1973	1.1053	2.7391	2.1066	3.1843	3.5701	3.1056	2.5392	1.7879

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	110.800	C1	C2	H9	109.406
C1	C2	H10	109.406	C1	C3	N6	179.789
C2	C1	C3	110.800	C2	C1	H7	109.406
C2	C1	H8	109.406	C2	C4	N5	179.789
C3	C1	H7	109.611	C3	C1	H8	109.611
C4	C2	H9	109.611	C4	C2	H10	109.611
H7	C1	H8	107.956	H9	C2	H10	107.956

All results from a given calculation for C₄H₄N₂ (Succinonitrile)

using model chemistry: PBEPBE/3-21G

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	-0.474
2	C	-0.474
3	C	0.367
4	C	0.367
5	N	-0.468
6	N	-0.468
7	H	0.287
8	H	0.287
9	H	0.287
10	H	0.287

	x	y	z
x	5.918	-2.378	0.000
y	-2.378	8.840	0.000
z	0.000	0.000	4.248

<r²>	211.856
(<r²>)^1/2	14.555

All results from a given calculation for C4H4N2 (Succinonitrile)

using model chemistry: PBEPBE/3-21G

States and conformations

All results from a given calculation for C₄H₄N₂ (Succinonitrile)