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	hartrees
Energy at 0K	-264.220184
Energy at 298.15K	-264.223951
HF Energy	-264.220184
Nuclear repulsion energy	178.814164

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3006	2964	0.00
2	A_g	2285	2253	0.00
3	A_g	1440	1420	0.00
4	A_g	1343	1324	0.00
5	A_g	989	975	0.00
6	A_g	947	934	0.00
7	A_g	505	498	0.00
8	A_g	213	210	0.00
9	A_u	3061	3018	1.59
10	A_u	1185	1169	0.00
11	A_u	756	745	2.69
12	A_u	384	379	0.01
13	A_u	70	69	21.11
14	B_g	3041	2998	0.00
15	B_g	1289	1271	0.00
16	B_g	1012	998	0.00
17	B_g	347	342	0.00
18	B_u	3017	2974	4.40
19	B_u	2287	2255	8.11
20	B_u	1449	1429	14.07
21	B_u	1265	1247	2.37
22	B_u	917	904	2.09
23	B_u	517	509	1.40
24	B_u	125	123	21.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.425	0.649	0.000
C2	-0.425	-0.649	0.000
C3	-0.425	1.835	0.000
C4	0.425	-1.835	0.000
N5	1.125	-2.758	0.000
N6	-1.125	2.758	0.000
H7	1.074	0.671	0.881
H8	1.074	0.671	-0.881
H9	-1.074	-0.671	0.881
H10	-1.074	-0.671	-0.881

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		1.5508	1.4588	2.4835	3.4781	2.6176	1.0947	1.0947	2.1825	2.1825
C2	1.5508		2.4835	1.4588	2.6176	3.4781	2.1825	2.1825	1.0947	1.0947
C3	1.4588	2.4835		3.7666	4.8473	1.1590	2.0921	2.0921	2.7342	2.7342
C4	2.4835	1.4588	3.7666		1.1590	4.8473	2.7342	2.7342	2.0921	2.0921
N5	3.4781	2.6176	4.8473	1.1590		5.9576	3.5407	3.5407	3.1574	3.1574
N6	2.6176	3.4781	1.1590	4.8473	5.9576		3.1574	3.1574	3.5407	3.5407
H7	1.0947	2.1825	2.0921	2.7342	3.5407	3.1574		1.7625	2.5322	3.0852
H8	1.0947	2.1825	2.0921	2.7342	3.5407	3.1574	1.7625		3.0852	2.5322
H9	2.1825	1.0947	2.7342	2.0921	3.1574	3.5407	2.5322	3.0852		1.7625
H10	2.1825	1.0947	2.7342	2.0921	3.1574	3.5407	3.0852	2.5322	1.7625

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	111.202	C1	C2	H9	110.179
C1	C2	H10	110.179	C1	C3	N6	177.728
C2	C1	C3	111.202	C2	C1	H7	110.179
C2	C1	H8	110.179	C2	C4	N5	177.728
C3	C1	H7	108.998	C3	C1	H8	108.998
C4	C2	H9	108.998	C4	C2	H10	108.998
H7	C1	H8	107.187	H9	C2	H10	107.187

All results from a given calculation for C₄H₄N₂ (Succinonitrile)

using model chemistry: B97D3/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	-0.101
2	C	-0.101
3	C	-0.114
4	C	-0.114
5	N	-0.034
6	N	-0.034
7	H	0.124
8	H	0.124
9	H	0.124
10	H	0.124

	x	y	z
x	7.387	-2.354	0.000
y	-2.354	10.546	0.000
z	0.000	0.000	5.588

<r²>	209.696
(<r²>)^1/2	14.481

All results from a given calculation for C4H4N2 (Succinonitrile)

using model chemistry: B97D3/cc-pVTZ

States and conformations

All results from a given calculation for C₄H₄N₂ (Succinonitrile)