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	hartrees
Energy at 0K	-44.708526
Energy at 298.15K	-44.712300
Nuclear repulsion energy	90.624774

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3112	2979	0.00
2	A_g	2375	2274	0.00
3	A_g	1463	1401	0.00
4	A_g	1382	1323	0.00
5	A_g	1053	1008	0.00
6	A_g	971	929	0.00
7	A_g	509	487	0.00
8	A_g	217	207	0.00
9	A_u	3182	3046	3.72
10	A_u	1196	1144	0.03
11	A_u	750	718	5.12
12	A_u	393	376	0.30
13	A_u	75	72	20.98
14	B_g	3163	3028	0.00
15	B_g	1302	1247	0.00
16	B_g	993	951	0.00
17	B_g	352	337	0.00
18	B_u	3119	2985	4.82
19	B_u	2377	2275	21.72
20	B_u	1472	1409	18.50
21	B_u	1271	1217	1.20
22	B_u	948	907	4.86
23	B_u	514	492	3.10
24	B_u	126	121	20.67

Atom	x (Å)	y (Å)	z (Å)
C1	0.431	0.646	0.000
C2	-0.431	-0.646	0.000
C3	-0.431	1.850	0.000
C4	0.431	-1.850	0.000
N5	1.130	-2.798	0.000
N6	-1.130	2.798	0.000
H7	1.079	0.676	0.888
H8	1.079	0.676	-0.888
H9	-1.079	-0.676	0.888
H10	-1.079	-0.676	-0.888

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		1.5522	1.4810	2.4961	3.5144	2.6592	1.0998	1.0998	2.1940	2.1940
C2	1.5522		2.4961	1.4810	2.6592	3.5144	2.1940	2.1940	1.0998	1.0998
C3	1.4810	2.4961		3.7998	4.9039	1.1782	2.1085	2.1085	2.7554	2.7554
C4	2.4961	1.4810	3.7998		1.1782	4.9039	2.7554	2.7554	2.1085	2.1085
N5	3.5144	2.6592	4.9039	1.1782		6.0361	3.5865	3.5865	3.1895	3.1895
N6	2.6592	3.5144	1.1782	4.9039	6.0361		3.1895	3.1895	3.5865	3.5865
H7	1.0998	2.1940	2.1085	2.7554	3.5865	3.1895		1.7762	2.5461	3.1044
H8	1.0998	2.1940	2.1085	2.7554	3.5865	3.1895	1.7762		3.1044	2.5461
H9	2.1940	1.0998	2.7554	2.1085	3.1895	3.5865	2.5461	3.1044		1.7762
H10	2.1940	1.0998	2.7554	2.1085	3.1895	3.5865	3.1044	2.5461	1.7762

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	110.733	C1	C2	H9	110.486
C1	C2	H10	110.486	C1	C3	N6	179.127
C2	C1	C3	110.733	C2	C1	H7	110.486
C2	C1	H8	110.486	C2	C4	N5	179.127
C3	C1	H7	108.672	C3	C1	H8	108.672
C4	C2	H9	108.672	C4	C2	H10	108.672
H7	C1	H8	107.708	H9	C2	H10	107.708

All results from a given calculation for C₄H₄N₂ (Succinonitrile)

using model chemistry: B1B95/CEP-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	-0.220
2	C	-0.220
3	C	-0.574
4	C	-0.574
5	N	0.406
6	N	0.406
7	H	0.194
8	H	0.194
9	H	0.194
10	H	0.194

	x	y	z
x	6.624	-2.348	0.000
y	-2.348	9.622	0.000
z	0.000	0.000	4.759

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C4H4N2 (Succinonitrile)

using model chemistry: B1B95/CEP-31G*

States and conformations

All results from a given calculation for C₄H₄N₂ (Succinonitrile)