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	hartrees
Energy at 0K	-264.209807
Energy at 298.15K	-264.213701
Nuclear repulsion energy	178.946810

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3086	2966	0.00
2	A_g	2388	2296	0.00
3	A_g	1437	1381	0.00
4	A_g	1372	1319	0.00
5	A_g	1054	1013	0.00
6	A_g	979	941	0.00
7	A_g	520	500	0.00
8	A_g	223	215	0.00
9	A_u	3151	3028	0.01
10	A_u	1190	1143	0.00
11	A_u	764	734	3.75
12	A_u	408	392	0.00
13	A_u	80	76	19.24
14	B_g	3132	3011	0.00
15	B_g	1297	1247	0.00
16	B_g	1015	976	0.00
17	B_g	367	353	0.00
18	B_u	3094	2973	1.79
19	B_u	2390	2297	10.96
20	B_u	1443	1387	15.54
21	B_u	1265	1215	3.21
22	B_u	956	919	3.85
23	B_u	527	507	1.38
24	B_u	129	124	19.88

Atom	x (Å)	y (Å)	z (Å)
C1	0.421	0.642	0.000
C2	-0.421	-0.642	0.000
C3	-0.421	1.833	0.000
C4	0.421	-1.833	0.000
N5	1.106	-2.768	0.000
N6	-1.106	2.768	0.000
H7	1.073	0.671	0.884
H8	1.073	0.671	-0.884
H9	-1.073	-0.671	0.884
H10	-1.073	-0.671	-0.884

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		1.5368	1.4584	2.4750	3.4786	2.6177	1.0989	1.0989	2.1776	2.1776
C2	1.5368		2.4750	1.4584	2.6177	3.4786	2.1776	2.1776	1.0989	1.0989
C3	1.4584	2.4750		3.7608	4.8477	1.1594	2.0891	2.0891	2.7343	2.7343
C4	2.4750	1.4584	3.7608		1.1594	4.8477	2.7343	2.7343	2.0891	2.0891
N5	3.4786	2.6177	4.8477	1.1594		5.9619	3.5514	3.5514	3.1509	3.1509
N6	2.6177	3.4786	1.1594	4.8477	5.9619		3.1509	3.1509	3.5514	3.5514
H7	1.0989	2.1776	2.0891	2.7343	3.5514	3.1509		1.7688	2.5315	3.0882
H8	1.0989	2.1776	2.0891	2.7343	3.5514	3.1509	1.7688		3.0882	2.5315
H9	2.1776	1.0989	2.7343	2.0891	3.1509	3.5514	2.5315	3.0882		1.7688
H10	2.1776	1.0989	2.7343	2.0891	3.1509	3.5514	3.0882	2.5315	1.7688

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	111.421	C1	C2	H9	110.317
C1	C2	H10	110.317	C1	C3	N6	179.100
C2	C1	C3	111.421	C2	C1	H7	110.317
C2	C1	H8	110.317	C2	C4	N5	179.100
C3	C1	H7	108.740	C3	C1	H8	108.740
C4	C2	H9	108.740	C4	C2	H10	108.740
H7	C1	H8	107.188	H9	C2	H10	107.188

All results from a given calculation for C₄H₄N₂ (Succinonitrile)

using model chemistry: B1B95/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	0.004
2	C	0.004
3	C	-0.097
4	C	-0.097
5	N	-0.106
6	N	-0.106
7	H	0.099
8	H	0.099
9	H	0.099
10	H	0.099

	x	y	z
x	6.499	-2.206	0.000
y	-2.206	9.328	0.000
z	0.000	0.000	4.829

<r²>	209.155
(<r²>)^1/2	14.462

All results from a given calculation for C4H4N2 (Succinonitrile)

using model chemistry: B1B95/cc-pVDZ

States and conformations

All results from a given calculation for C₄H₄N₂ (Succinonitrile)