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	hartrees
Energy at 0K	-264.206152
Energy at 298.15K	-264.210082
HF Energy	-264.206152
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3101	2941	0.00
2	A_g	2415	2291	0.00
3	A_g	1499	1422	0.00
4	A_g	1424	1351	0.00
5	A_g	1051	997	0.00
6	A_g	989	938	0.00
7	A_g	524	497	0.00
8	A_g	227	215	0.00
9	A_u	3164	3001	0.44
10	A_u	1240	1176	0.13
11	A_u	783	742	4.28
12	A_u	412	391	0.13
13	A_u	86	81	21.61
14	B_g	3147	2985	0.00
15	B_g	1343	1274	0.00
16	B_g	1054	1000	0.00
17	B_g	371	352	0.00
18	B_u	3109	2949	2.70
19	B_u	2416	2292	9.37
20	B_u	1503	1425	16.55
21	B_u	1323	1255	1.48
22	B_u	950	901	6.81
23	B_u	538	511	0.99
24	B_u	134	127	22.82

Atom	x (Å)	y (Å)	z (Å)
C1	0.426	0.645	0.000
C2	-0.426	-0.645	0.000
C3	-0.426	1.835	0.000
C4	0.426	-1.835	0.000
N5	1.125	-2.755	0.000
N6	-1.125	2.755	0.000
H7	1.074	0.672	0.881
H8	1.074	0.672	-0.881
H9	-1.074	-0.672	0.881
H10	-1.074	-0.672	-0.881

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		1.5453	1.4638	2.4793	3.4708	2.6193	1.0941	1.0941	2.1817	2.1817
C2	1.5453		2.4793	1.4638	2.6193	3.4708	2.1817	2.1817	1.0941	1.0941
C3	1.4638	2.4793		3.7672	4.8450	1.1557	2.0924	2.0924	2.7350	2.7350
C4	2.4793	1.4638	3.7672		1.1557	4.8450	2.7350	2.7350	2.0924	2.0924
N5	3.4708	2.6193	4.8450	1.1557		5.9521	3.5391	3.5391	3.1545	3.1545
N6	2.6193	3.4708	1.1557	4.8450	5.9521		3.1545	3.1545	3.5391	3.5391
H7	1.0941	2.1817	2.0924	2.7350	3.5391	3.1545		1.7629	2.5333	3.0864
H8	1.0941	2.1817	2.0924	2.7350	3.5391	3.1545	1.7629		3.0864	2.5333
H9	2.1817	1.0941	2.7350	2.0924	3.1545	3.5391	2.5333	3.0864		1.7629
H10	2.1817	1.0941	2.7350	2.0924	3.1545	3.5391	3.0864	2.5333	1.7629

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	110.933	C1	C2	H9	110.324
C1	C2	H10	110.324	C1	C3	N6	178.387
C2	C1	C3	110.933	C2	C1	H7	110.324
C2	C1	H8	110.324	C2	C4	N5	178.387
C3	C1	H7	108.914	C3	C1	H8	108.914
C4	C2	H9	108.914	C4	C2	H10	108.914
H7	C1	H8	107.342	H9	C2	H10	107.342

All results from a given calculation for C₄H₄N₂ (Succinonitrile)

using model chemistry: wB97X-D/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
1	C	-0.394
2	C	-0.394
3	C	0.346
4	C	0.346
5	N	-0.445
6	N	-0.445
7	H	0.247
8	H	0.247
9	H	0.247
10	H	0.247

	x	y	z
x	6.303	-2.314	0.000
y	-2.314	8.952	0.000
z	0.000	0.000	4.621

<r²>	209.309
(<r²>)^1/2	14.468

All results from a given calculation for C4H4N2 (Succinonitrile)

using model chemistry: wB97X-D/6-31G*

States and conformations

All results from a given calculation for C₄H₄N₂ (Succinonitrile)