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	hartrees
Energy at 0K	-264.300652
Energy at 298.15K	-264.304595
HF Energy	-264.300652
Nuclear repulsion energy	179.866845

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3085	2951	0.00
2	A_g	2401	2297	0.00
3	A_g	1468	1404	0.00
4	A_g	1405	1344	0.00
5	A_g	1042	997	0.00
6	A_g	979	937	0.00
7	A_g	525	502	0.00
8	A_g	227	217	0.00
9	A_u	3144	3008	0.02
10	A_u	1227	1174	0.00
11	A_u	770	737	3.16
12	A_u	404	386	0.31
13	A_u	84	80	23.69
14	B_g	3126	2991	0.00
15	B_g	1331	1273	0.00
16	B_g	1039	994	0.00
17	B_g	366	350	0.00
18	B_u	3094	2959	1.15
19	B_u	2402	2298	14.52
20	B_u	1475	1411	17.50
21	B_u	1308	1251	2.27
22	B_u	942	901	4.54
23	B_u	540	517	0.56
24	B_u	132	126	24.81

Atom	x (Å)	y (Å)	z (Å)
C1	0.425	0.643	0.000
C2	-0.425	-0.643	0.000
C3	-0.425	1.828	0.000
C4	0.425	-1.828	0.000
N5	1.122	-2.737	0.000
N6	-1.122	2.737	0.000
H7	1.069	0.672	0.878
H8	1.069	0.672	-0.878
H9	-1.069	-0.672	0.878
H10	-1.069	-0.672	-0.878

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		1.5404	1.4582	2.4704	3.4511	2.6039	1.0893	1.0893	2.1746	2.1746
C2	1.5404		2.4704	1.4582	2.6039	3.4511	2.1746	2.1746	1.0893	1.0893
C3	1.4582	2.4704		3.7530	4.8200	1.1461	2.0826	2.0826	2.7266	2.7266
C4	2.4704	1.4582	3.7530		1.1461	4.8200	2.7266	2.7266	2.0826	2.0826
N5	3.4511	2.6039	4.8200	1.1461		5.9167	3.5208	3.5208	3.1363	3.1363
N6	2.6039	3.4511	1.1461	4.8200	5.9167		3.1363	3.1363	3.5208	3.5208
H7	1.0893	2.1746	2.0826	2.7266	3.5208	3.1363		1.7560	2.5247	3.0754
H8	1.0893	2.1746	2.0826	2.7266	3.5208	3.1363	1.7560		3.0754	2.5247
H9	2.1746	1.0893	2.7266	2.0826	3.1363	3.5208	2.5247	3.0754		1.7560
H10	2.1746	1.0893	2.7266	2.0826	3.1363	3.5208	3.0754	2.5247	1.7560

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	110.915	C1	C2	H9	110.395
C1	C2	H10	110.395	C1	C3	N6	178.138
C2	C1	C3	110.915	C2	C1	H7	110.395
C2	C1	H8	110.395	C2	C4	N5	178.138
C3	C1	H7	108.813	C3	C1	H8	108.813
C4	C2	H9	108.813	C4	C2	H10	108.813
H7	C1	H8	107.421	H9	C2	H10	107.421

All results from a given calculation for C₄H₄N₂ (Succinonitrile)

using model chemistry: wB97X-D/aug-cc-pVTZ

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	0.025
2	C	0.025
3	C	0.141
4	C	0.141
5	N	-0.598
6	N	-0.598
7	H	0.216
8	H	0.216
9	H	0.216
10	H	0.216

	x	y	z
x	7.757	-2.103	0.000
y	-2.103	10.616	0.000
z	0.000	0.000	6.181

<r²>	208.004
(<r²>)^1/2	14.422

All results from a given calculation for C4H4N2 (Succinonitrile)

using model chemistry: wB97X-D/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₄H₄N₂ (Succinonitrile)