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	hartrees
Energy at 0K	-264.231284
Energy at 298.15K	-264.235206
Nuclear repulsion energy	179.048159

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3099	2948	0.00
2	A_g	2406	2289	0.00
3	A_g	1481	1409	0.00
4	A_g	1398	1330	0.00
5	A_g	1051	1000	0.00
6	A_g	986	938	0.00
7	A_g	523	497	0.00
8	A_g	225	214	0.00
9	A_u	3163	3010	0.07
10	A_u	1217	1158	0.12
11	A_u	775	738	4.67
12	A_u	413	393	0.10
13	A_u	81	77	21.10
14	B_g	3145	2993	0.00
15	B_g	1324	1259	0.00
16	B_g	1040	989	0.00
17	B_g	373	355	0.00
18	B_u	3108	2957	1.93
19	B_u	2407	2290	10.96
20	B_u	1486	1414	16.70
21	B_u	1297	1234	1.44
22	B_u	956	909	4.70
23	B_u	535	509	1.39
24	B_u	132	126	22.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.770	0.000
C2	0.000	-0.770	0.000
C3	-1.360	1.299	0.000
C4	1.360	-1.299	0.000
N5	2.445	-1.704	0.000
N6	-2.445	1.704	0.000
H7	0.527	1.149	0.880
H8	0.527	1.149	-0.880
H9	-0.527	-1.149	0.880
H10	-0.527	-1.149	-0.880

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		1.5406	1.4589	2.4761	3.4781	2.6168	1.0933	1.0933	2.1758	2.1758
C2	1.5406		2.4761	1.4589	2.6168	3.4781	2.1758	2.1758	1.0933	1.0933
C3	1.4589	2.4761		3.7611	4.8467	1.1579	2.0870	2.0870	2.7313	2.7313
C4	2.4761	1.4589	3.7611		1.1579	4.8467	2.7313	2.7313	2.0870	2.0870
N5	3.4781	2.6168	4.8467	1.1579		5.9595	3.5482	3.5482	3.1482	3.1482
N6	2.6168	3.4781	1.1579	4.8467	5.9595		3.1482	3.1482	3.5482	3.5482
H7	1.0933	2.1758	2.0870	2.7313	3.5482	3.1482		1.7605	2.5270	3.0798
H8	1.0933	2.1758	2.0870	2.7313	3.5482	3.1482	1.7605		3.0798	2.5270
H9	2.1758	1.0933	2.7313	2.0870	3.1482	3.5482	2.5270	3.0798		1.7605
H10	2.1758	1.0933	2.7313	2.0870	3.1482	3.5482	3.0798	2.5270	1.7605

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	111.251	C1	C2	H9	110.242
C1	C2	H10	110.242	C1	C3	N6	179.208
C2	C1	C3	111.251	C2	C1	H7	110.242
C2	C1	H8	110.242	C2	C4	N5	179.208
C3	C1	H7	108.875	C3	C1	H8	108.875
C4	C2	H9	108.875	C4	C2	H10	108.875
H7	C1	H8	107.252	H9	C2	H10	107.252

All results from a given calculation for C₄H₄N₂ (Succinonitrile)

using model chemistry: mPW1PW91/6-31G**

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	-0.310
2	C	-0.310
3	C	0.351
4	C	0.351
5	N	-0.470
6	N	-0.470
7	H	0.214
8	H	0.214
9	H	0.214
10	H	0.214

<r²>	209.170
(<r²>)^1/2	14.463

All results from a given calculation for C4H4N2 (Succinonitrile)

using model chemistry: mPW1PW91/6-31G**

States and conformations

All results from a given calculation for C₄H₄N₂ (Succinonitrile)