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	hartrees
Energy at 0K	-314.152214
Energy at 298.15K
HF Energy	-313.581771
Nuclear repulsion energy	213.160117

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3150	2944	10.48
2	A₁	2471	2309	0.20
3	A₁	905	846	12.00
4	A₁	615	575	0.38
5	A₁	202	189	17.80
6	A₂	454	424	0.00
7	E	2462	2300	2.30
7	E	2462	2300	2.30
8	E	1400	1308	0.00
8	E	1400	1308	0.00
9	E	1066	996	29.76
9	E	1066	996	29.76
10	E	653	610	0.02
10	E	653	610	0.02
11	E	452	422	0.00
11	E	452	422	0.00
12	E	163	152	5.99
12	E	163	152	5.99

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.534
H2	0.000	0.000	1.629
C3	0.000	1.399	0.066
C4	1.212	-0.700	0.066
C5	-1.212	-0.700	0.066
N6	0.000	2.498	-0.287
N7	2.164	-1.249	-0.287
N8	-2.164	-1.249	-0.287

	C1	H2	C3	C4	C5	N6	N7	N8
C1		1.0952	1.4755	1.4755	1.4755	2.6298	2.6298	2.6298
H2	1.0952		2.0980	2.0980	2.0980	3.1484	3.1484	3.1484
C3	1.4755	2.0980		2.4236	2.4236	1.1544	3.4381	3.4381
C4	1.4755	2.0980	2.4236		2.4236	3.4381	1.1544	3.4381
C5	1.4755	2.0980	2.4236	2.4236		3.4381	3.4381	1.1544
N6	2.6298	3.1484	1.1544	3.4381	3.4381		4.3275	4.3275
N7	2.6298	3.1484	3.4381	1.1544	3.4381	4.3275		4.3275
N8	2.6298	3.1484	3.4381	3.4381	1.1544	4.3275	4.3275

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	N6	179.290	C1	C4	N7	179.290
C1	C5	N8	179.290	H2	C1	C3	108.493
H2	C1	C4	108.493	H2	C1	C5	108.493
C3	C1	C4	110.432	C3	C1	C5	110.432
C4	C1	C5	110.432

All results from a given calculation for CH(CN)₃ (tricyanomethane)

using model chemistry: CISD/3-21G*

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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All results from a given calculation for CH(CN)3 (tricyanomethane)

using model chemistry: CISD/3-21G*

States and conformations

All results from a given calculation for CH(CN)₃ (tricyanomethane)