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	hartrees
Energy at 0K	-264.272276
Energy at 298.15K	-264.276235
HF Energy	-264.272276
Nuclear repulsion energy	179.526644

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3081	2947	0.00
2	A_g	2406	2301	0.00
3	A_g	1471	1407	0.00
4	A_g	1405	1344	0.00
5	A_g	1046	1001	0.00
6	A_g	984	941	0.00
7	A_g	526	503	0.00
8	A_g	229	219	0.00
9	A_u	3142	3005	0.37
10	A_u	1227	1173	0.02
11	A_u	774	740	3.65
12	A_u	411	393	0.01
13	A_u	83	80	21.92
14	B_g	3124	2988	0.00
15	B_g	1329	1272	0.00
16	B_g	1039	994	0.00
17	B_g	371	355	0.00
18	B_u	3089	2955	2.51
19	B_u	2407	2302	10.68
20	B_u	1476	1412	18.71
21	B_u	1305	1248	1.40
22	B_u	946	905	5.81
23	B_u	543	519	0.99
24	B_u	134	128	22.74

Atom	x (Å)	y (Å)	z (Å)
C1	0.425	0.644	0.000
C2	-0.425	-0.644	0.000
C3	-0.425	1.831	0.000
C4	0.425	-1.831	0.000
N5	1.121	-2.745	0.000
N6	-1.121	2.745	0.000
H7	1.071	0.674	0.880
H8	1.071	0.674	-0.880
H9	-1.071	-0.674	0.880
H10	-1.071	-0.674	-0.880

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		1.5432	1.4596	2.4750	3.4594	2.6081	1.0921	1.0921	2.1792	2.1792
C2	1.5432		2.4750	1.4596	2.6081	3.4594	2.1792	2.1792	1.0921	1.0921
C3	1.4596	2.4750		3.7590	4.8295	1.1487	2.0856	2.0856	2.7324	2.7324
C4	2.4750	1.4596	3.7590		1.1487	4.8295	2.7324	2.7324	2.0856	2.0856
N5	3.4594	2.6081	4.8295	1.1487		5.9294	3.5304	3.5304	3.1410	3.1410
N6	2.6081	3.4594	1.1487	4.8295	5.9294		3.1410	3.1410	3.5304	3.5304
H7	1.0921	2.1792	2.0856	2.7324	3.5304	3.1410		1.7604	2.5303	3.0824
H8	1.0921	2.1792	2.0856	2.7324	3.5304	3.1410	1.7604		3.0824	2.5303
H9	2.1792	1.0921	2.7324	2.0856	3.1410	3.5304	2.5303	3.0824		1.7604
H10	2.1792	1.0921	2.7324	2.0856	3.1410	3.5304	3.0824	2.5303	1.7604

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	110.985	C1	C2	H9	110.395
C1	C2	H10	110.395	C1	C3	N6	178.296
C2	C1	C3	110.985	C2	C1	H7	110.395
C2	C1	H8	110.395	C2	C4	N5	178.296
C3	C1	H7	108.782	C3	C1	H8	108.782
C4	C2	H9	108.782	C4	C2	H10	108.782
H7	C1	H8	107.409	H9	C2	H10	107.409

All results from a given calculation for C₄H₄N₂ (Succinonitrile)

using model chemistry: wB97X-D/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
1	C	-0.210
2	C	-0.210
3	C	0.044
4	C	0.044
5	N	-0.225
6	N	-0.225
7	H	0.195
8	H	0.195
9	H	0.195
10	H	0.195

	x	y	z
x	6.660	-2.224	0.000
y	-2.224	9.337	0.000
z	0.000	0.000	4.930

<r²>	208.493
(<r²>)^1/2	14.439

All results from a given calculation for C4H4N2 (Succinonitrile)

using model chemistry: wB97X-D/6-311G**

States and conformations

All results from a given calculation for C₄H₄N₂ (Succinonitrile)