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	hartrees
Energy at 0K	-264.219915
Energy at 298.15K	-264.223843
HF Energy	-264.219915
Nuclear repulsion energy	178.867237

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3095	2948	0.00
2	A_g	2404	2290	0.00
3	A_g	1475	1405	0.00
4	A_g	1409	1343	0.00
5	A_g	1047	998	0.00
6	A_g	982	935	0.00
7	A_g	520	495	0.00
8	A_g	224	214	0.00
9	A_u	3161	3011	0.04
10	A_u	1226	1168	0.00
11	A_u	774	738	3.07
12	A_u	405	385	0.01
13	A_u	85	81	23.63
14	B_g	3144	2995	0.00
15	B_g	1330	1267	0.00
16	B_g	1040	990	0.00
17	B_g	365	348	0.00
18	B_u	3103	2956	2.02
19	B_u	2405	2291	14.57
20	B_u	1479	1409	18.63
21	B_u	1309	1247	1.54
22	B_u	945	900	6.57
23	B_u	534	509	1.77
24	B_u	132	126	24.38

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	1.123	-2.758	0.000
N6	-1.123	2.758	0.000
H7	1.072	0.676	0.881
H8	1.072	0.676	-0.881
H9	-1.072	-0.676	0.881
H10	-1.072	-0.676	-0.881

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		1.5455	1.4635	2.4797	3.4731	2.6196	1.0935	1.0935	2.1829	2.1829
C2	1.5455		2.4797	1.4635	2.6196	3.4731	2.1829	2.1829	1.0935	1.0935
C3	1.4635	2.4797		3.7673	4.8466	1.1563	2.0895	2.0895	2.7381	2.7381
C4	2.4797	1.4635	3.7673		1.1563	4.8466	2.7381	2.7381	2.0895	2.0895
N5	3.4731	2.6196	4.8466	1.1563		5.9549	3.5449	3.5449	3.1513	3.1513
N6	2.6196	3.4731	1.1563	4.8466	5.9549		3.1513	3.1513	3.5449	3.5449
H7	1.0935	2.1829	2.0895	2.7381	3.5449	3.1513		1.7630	2.5348	3.0876
H8	1.0935	2.1829	2.0895	2.7381	3.5449	3.1513	1.7630		3.0876	2.5348
H9	2.1829	1.0935	2.7381	2.0895	3.1513	3.5449	2.5348	3.0876		1.7630
H10	2.1829	1.0935	2.7381	2.0895	3.1513	3.5449	3.0876	2.5348	1.7630

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	110.963	C1	C2	H9	110.441
C1	C2	H10	110.441	C1	C3	N6	178.531
C2	C1	C3	110.963	C2	C1	H7	110.441
C2	C1	H8	110.441	C2	C4	N5	178.531
C3	C1	H7	108.737	C3	C1	H8	108.737
C4	C2	H9	108.737	C4	C2	H10	108.737
H7	C1	H8	107.427	H9	C2	H10	107.427

All results from a given calculation for C₄H₄N₂ (Succinonitrile)

using model chemistry: wB97X-D/cc-pVDZ

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	-0.093
2	C	-0.093
3	C	0.091
4	C	0.091
5	N	-0.453
6	N	-0.453
7	H	0.227
8	H	0.227
9	H	0.227
10	H	0.227

	x	y	z
x	7.247	-2.453	0.000
y	-2.453	10.114	0.000
z	0.000	0.000	5.455

<r²>	210.218
(<r²>)^1/2	14.499

All results from a given calculation for C4H4N2 (Succinonitrile)

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

All results from a given calculation for C₄H₄N₂ (Succinonitrile)