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	hartrees
Energy at 0K	-264.246071
Energy at 298.15K	-264.249953
Nuclear repulsion energy	176.863412

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3077	2958	0.00
2	A_g	2284	2196	0.00
3	A_g	1502	1444	0.00
4	A_g	1391	1337	0.00
5	A_g	1042	1002	0.00
6	A_g	969	932	0.00
7	A_g	509	490	0.00
8	A_g	228	219	0.00
9	A_u	3150	3028	7.10
10	A_u	1225	1178	0.16
11	A_u	788	757	4.19
12	A_u	404	388	1.76
13	A_u	76	73	21.64
14	B_g	3128	3007	0.00
15	B_g	1321	1270	0.00
16	B_g	1057	1016	0.00
17	B_g	367	353	0.00
18	B_u	3085	2966	8.40
19	B_u	2287	2198	10.33
20	B_u	1507	1449	29.77
21	B_u	1323	1272	2.24
22	B_u	937	901	10.19
23	B_u	528	507	6.56
24	B_u	134	128	19.44

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.780	0.000
C2	0.000	-0.780	0.000
C3	-1.372	1.313	0.000
C4	1.372	-1.313	0.000
N5	2.475	-1.733	0.000
N6	-2.475	1.733	0.000
H7	0.530	1.155	0.883
H8	0.530	1.155	-0.883
H9	-0.530	-1.155	0.883
H10	-0.530	-1.155	-0.883

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		1.5593	1.4722	2.5027	3.5273	2.6525	1.0966	1.0966	2.1920	2.1920
C2	1.5593		2.5027	1.4722	2.6525	3.5273	2.1920	2.1920	1.0966	1.0966
C3	1.4722	2.5027		3.7987	4.9075	1.1803	2.1034	2.1034	2.7536	2.7536
C4	2.5027	1.4722	3.7987		1.1803	4.9075	2.7536	2.7536	2.1034	2.1034
N5	3.5273	2.6525	4.9075	1.1803		6.0435	3.5925	3.5925	3.1855	3.1855
N6	2.6525	3.5273	1.1803	4.9075	6.0435		3.1855	3.1855	3.5925	3.5925
H7	1.0966	2.1920	2.1034	2.7536	3.5925	3.1855		1.7667	2.5420	3.0956
H8	1.0966	2.1920	2.1034	2.7536	3.5925	3.1855	1.7667		3.0956	2.5420
H9	2.1920	1.0966	2.7536	2.1034	3.1855	3.5925	2.5420	3.0956		1.7667
H10	2.1920	1.0966	2.7536	2.1034	3.1855	3.5925	3.0956	2.5420	1.7667

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	111.259	C1	C2	H9	110.019
C1	C2	H10	110.019	C1	C3	N6	179.585
C2	C1	C3	111.259	C2	C1	H7	110.019
C2	C1	H8	110.019	C2	C4	N5	179.585
C3	C1	H7	109.063	C3	C1	H8	109.063
C4	C2	H9	109.063	C4	C2	H10	109.063
H7	C1	H8	107.326	H9	C2	H10	107.326

All results from a given calculation for C₄H₄N₂ (Succinonitrile)

using model chemistry: B3LYP/SDD

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	-0.364
2	C	-0.364
3	C	-0.154
4	C	-0.154
5	N	0.006
6	N	0.006
7	H	0.256
8	H	0.256
9	H	0.256
10	H	0.256

	x	y	z
x	9.596	-2.369	0.000
y	-2.369	6.238	0.000
z	0.000	0.000	4.574

<r²>	214.659
(<r²>)^1/2	14.651

All results from a given calculation for C4H4N2 (Succinonitrile)

using model chemistry: B3LYP/SDD

States and conformations

All results from a given calculation for C₄H₄N₂ (Succinonitrile)