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	hartrees
Energy at 0K	-264.220055
Energy at 298.15K	-264.223928
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3098	2968	0.00
2	A_g	2387	2286	0.00
3	A_g	1444	1384	0.00
4	A_g	1369	1312	0.00
5	A_g	1055	1011	0.00
6	A_g	980	939	0.00
7	A_g	519	497	0.00
8	A_g	221	212	0.00
9	A_u	3163	3030	0.02
10	A_u	1193	1143	0.00
11	A_u	758	726	3.06
12	A_u	396	379	0.22
13	A_u	77	73	22.83
14	B_g	3145	3012	0.00
15	B_g	1299	1245	0.00
16	B_g	1019	976	0.00
17	B_g	360	345	0.00
18	B_u	3107	2976	1.30
19	B_u	2388	2288	14.10
20	B_u	1451	1390	16.31
21	B_u	1263	1210	2.83
22	B_u	955	915	3.72
23	B_u	525	503	0.88
24	B_u	129	123	24.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.423	0.641	0.000
C2	-0.423	-0.641	0.000
C3	-0.423	1.829	0.000
C4	0.423	-1.829	0.000
N5	1.110	-2.760	0.000
N6	-1.110	2.760	0.000
H7	1.070	0.669	0.883
H8	1.070	0.669	-0.883
H9	-1.070	-0.669	0.883
H10	-1.070	-0.669	-0.883

	C1	C2	C3	C4	N5	N6	H7	H8	H9	H10
C1		1.5362	1.4576	2.4706	3.4699	2.6145	1.0949	1.0949	2.1737	2.1737
C2	1.5362		2.4706	1.4576	2.6145	3.4699	2.1737	2.1737	1.0949	1.0949
C3	1.4576	2.4706		3.7546	4.8380	1.1569	2.0860	2.0860	2.7279	2.7279
C4	2.4706	1.4576	3.7546		1.1569	4.8380	2.7279	2.7279	2.0860	2.0860
N5	3.4699	2.6145	4.8380	1.1569		5.9491	3.5412	3.5412	3.1464	3.1464
N6	2.6145	3.4699	1.1569	4.8380	5.9491		3.1464	3.1464	3.5412	3.5412
H7	1.0949	2.1737	2.0860	2.7279	3.5412	3.1464		1.7651	2.5243	3.0802
H8	1.0949	2.1737	2.0860	2.7279	3.5412	3.1464	1.7651		3.0802	2.5243
H9	2.1737	1.0949	2.7279	2.0860	3.1464	3.5412	2.5243	3.0802		1.7651
H10	2.1737	1.0949	2.7279	2.0860	3.1464	3.5412	3.0802	2.5243	1.7651

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C4	111.199	C1	C2	H9	110.282
C1	C2	H10	110.282	C1	C3	N6	178.974
C2	C1	C3	111.199	C2	C1	H7	110.282
C2	C1	H8	110.282	C2	C4	N5	178.974
C3	C1	H7	108.780	C3	C1	H8	108.780
C4	C2	H9	108.780	C4	C2	H10	108.780
H7	C1	H8	107.418	H9	C2	H10	107.418

All results from a given calculation for C₄H₄N₂ (Succinonitrile)

using model chemistry: B1B95/aug-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	0.767
2	C	0.767
3	C	-0.095
4	C	-0.095
5	N	-0.248
6	N	-0.248
7	H	-0.212
8	H	-0.212
9	H	-0.212
10	H	-0.212

	x	y	z
x	7.756	-2.223	0.000
y	-2.223	10.842	0.000
z	0.000	0.000	6.116

<r²>	209.209
(<r²>)^1/2	14.464

All results from a given calculation for C4H4N2 (Succinonitrile)

using model chemistry: B1B95/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₄H₄N₂ (Succinonitrile)