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	hartrees
Energy at 0K	-264.251266
Energy at 298.15K	-264.255183
Nuclear repulsion energy	179.743298

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3083	2955	0.00
2	A_g	2386	2287	0.00
3	A_g	1478	1417	0.00
4	A_g	1392	1334	0.00
5	A_g	1047	1003	0.00
6	A_g	982	941	0.00
7	A_g	524	502	0.00
8	A_g	226	216	0.00
9	A_u	3141	3011	1.22
10	A_u	1225	1174	0.13
11	A_u	769	737	3.93
12	A_u	411	394	0.01
13	A_u	79	76	20.94
14	B_g	3121	2992	0.00
15	B_g	1329	1274	0.00
16	B_g	1037	994	0.00
17	B_g	371	356	0.00
18	B_u	3092	2964	3.76
19	B_u	2388	2289	9.92
20	B_u	1486	1425	18.47
21	B_u	1297	1243	1.46
22	B_u	952	913	4.91
23	B_u	536	514	1.29
24	B_u	131	125	21.93

Atom	x (Å)	y (Å)	z (Å)
C1	0.422	0.643	0.000
C2	-0.422	-0.643	0.000
C3	-0.422	1.827	0.000
C4	0.422	-1.827	0.000
N5	1.106	-2.752	0.000
N6	-1.106	2.752	0.000
H7	1.071	0.669	0.877
H8	1.071	0.669	-0.877
H9	-1.071	-0.669	0.877
H10	-1.071	-0.669	-0.877

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		1.5374	1.4538	2.4693	3.4631	2.6046	1.0914	1.0914	2.1719	2.1719
C2	1.5374		2.4693	1.4538	2.6046	3.4631	2.1719	2.1719	1.0914	1.0914
C3	1.4538	2.4693		3.7495	4.8270	1.1509	2.0826	2.0826	2.7237	2.7237
C4	2.4693	1.4538	3.7495		1.1509	4.8270	2.7237	2.7237	2.0826	2.0826
N5	3.4631	2.6046	4.8270	1.1509		5.9321	3.5320	3.5320	3.1379	3.1379
N6	2.6046	3.4631	1.1509	4.8270	5.9321		3.1379	3.1379	3.5320	3.5320
H7	1.0914	2.1719	2.0826	2.7237	3.5320	3.1379		1.7545	2.5248	3.0746
H8	1.0914	2.1719	2.0826	2.7237	3.5320	3.1379	1.7545		3.0746	2.5248
H9	2.1719	1.0914	2.7237	2.0826	3.1379	3.5320	2.5248	3.0746		1.7545
H10	2.1719	1.0914	2.7237	2.0826	3.1379	3.5320	3.0746	2.5248	1.7545

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	111.252	C1	C2	H9	110.264
C1	C2	H10	110.264	C1	C3	N6	179.000
C2	C1	C3	111.252	C2	C1	H7	110.264
C2	C1	H8	110.264	C2	C4	N5	179.000
C3	C1	H7	108.984	C3	C1	H8	108.984
C4	C2	H9	108.984	C4	C2	H10	108.984
H7	C1	H8	106.982	H9	C2	H10	106.982

All results from a given calculation for C₄H₄N₂ (Succinonitrile)

using model chemistry: B1B95/6-311G*

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	-0.489
2	C	-0.489
3	C	0.143
4	C	0.143
5	N	-0.238
6	N	-0.238
7	H	0.292
8	H	0.292
9	H	0.292
10	H	0.292

	x	y	z
x	6.637	-2.268	0.000
y	-2.268	9.440	0.000
z	0.000	0.000	4.882

<r²>	208.002
(<r²>)^1/2	14.422

All results from a given calculation for C4H4N2 (Succinonitrile)

using model chemistry: B1B95/6-311G*

States and conformations

All results from a given calculation for C₄H₄N₂ (Succinonitrile)