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	hartrees
Energy at 0K	-264.206607
Energy at 298.15K	-264.210516
Nuclear repulsion energy	179.529194

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3083	2953	0.00
2	A_g	2388	2287	0.00
3	A_g	1458	1396	0.00
4	A_g	1372	1314	0.00
5	A_g	1044	1000	0.00
6	A_g	975	934	0.00
7	A_g	524	502	0.00
8	A_g	225	215	0.00
9	A_u	3147	3014	0.07
10	A_u	1198	1147	0.09
11	A_u	763	731	3.93
12	A_u	415	397	0.39
13	A_u	77	74	20.94
14	B_g	3128	2995	0.00
15	B_g	1305	1250	0.00
16	B_g	1027	983	0.00
17	B_g	376	360	0.00
18	B_u	3093	2962	1.72
19	B_u	2389	2288	10.61
20	B_u	1466	1404	14.11
21	B_u	1276	1222	2.54
22	B_u	950	910	3.21
23	B_u	535	512	0.68
24	B_u	129	124	22.42

Atom	x (Å)	y (Å)	z (Å)
C1	0.422	0.643	0.000
C2	-0.422	-0.643	0.000
C3	-0.422	1.828	0.000
C4	0.422	-1.828	0.000
N5	1.108	-2.755	0.000
N6	-1.108	2.755	0.000
H7	1.071	0.667	0.879
H8	1.071	0.667	-0.879
H9	-1.071	-0.667	0.879
H10	-1.071	-0.667	-0.879

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		1.5389	1.4549	2.4706	3.4667	2.6084	1.0924	1.0924	2.1722	2.1722
C2	1.5389		2.4706	1.4549	2.6084	3.4667	2.1722	2.1722	1.0924	1.0924
C3	1.4549	2.4706		3.7514	4.8315	1.1536	2.0854	2.0854	2.7231	2.7231
C4	2.4706	1.4549	3.7514		1.1536	4.8315	2.7231	2.7231	2.0854	2.0854
N5	3.4667	2.6084	4.8315	1.1536		5.9393	3.5334	3.5334	3.1434	3.1434
N6	2.6084	3.4667	1.1536	4.8315	5.9393		3.1434	3.1434	3.5334	3.5334
H7	1.0924	2.1722	2.0854	2.7231	3.5334	3.1434		1.7576	2.5231	3.0750
H8	1.0924	2.1722	2.0854	2.7231	3.5334	3.1434	1.7576		3.0750	2.5231
H9	2.1722	1.0924	2.7231	2.0854	3.1434	3.5334	2.5231	3.0750		1.7576
H10	2.1722	1.0924	2.7231	2.0854	3.1434	3.5334	3.0750	2.5231	1.7576

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	111.196	C1	C2	H9	110.133
C1	C2	H10	110.133	C1	C3	N6	179.025
C2	C1	C3	111.196	C2	C1	H7	110.133
C2	C1	H8	110.133	C2	C4	N5	179.025
C3	C1	H7	109.078	C3	C1	H8	109.078
C4	C2	H9	109.078	C4	C2	H10	109.078
H7	C1	H8	107.125	H9	C2	H10	107.125

All results from a given calculation for C₄H₄N₂ (Succinonitrile)

using model chemistry: B1B95/6-31G(2df,p)

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	-0.362
2	C	-0.362
3	C	0.278
4	C	0.278
5	N	-0.302
6	N	-0.302
7	H	0.193
8	H	0.193
9	H	0.193
10	H	0.193

	x	y	z
x	6.631	-2.207	0.000
y	-2.207	9.506	0.000
z	0.000	0.000	5.031

<r²>	207.903
(<r²>)^1/2	14.419

All results from a given calculation for C4H4N2 (Succinonitrile)

using model chemistry: B1B95/6-31G(2df,p)

States and conformations

All results from a given calculation for C₄H₄N₂ (Succinonitrile)